1
WURCS: FEā{íåþ pMñ4fï]ñim Acknowledgements, References Gimò¢ l(7;}QM ±¶·¡ ĘĆĈČĆćĦĐĕĨĒĜĨĐđĦĒĨ ³¬®¡Ģ ĆĚČĆćĦĐĕĨĒĜĨĐu=L u=ěĥĊĢğ pl(ĝĨĒĤ ñMo ñ@?ðûéëdâÿëØþ¤ , , _l(imðÛØëĕĨĒĜĨĐñX`òRì×þ¤ ċėğúěĥĔĈĨğimðÛØëòïĕĨĒĜĨĐāX`åþìimāìÞþ^ $ÝBéëØþÝ¢ pòçñûÙï\Uðïؤ 5ÖñĊĤĨěìòpMģĝďĖģ¯ÅзÈμǺ¦»ā!íãëpl(ĝĨĒĤ¯ÅÐÈÌÆÈÌôñ9 /ðýrĂìØþ¤ ĩģĝďĖģíò¢ ġĨčĨ|ÝĕĨĒāìÞþĎĐĔğì¢ ĒĦęĉ¨SMðÛßþ´ËÈÍÀÃÇ ®¼Í¼ ¬¼ÇÄ ´®¬¡ïîÝØì ×þ¤Ī ëñpMð4ñ°®āÚþĩOZĪðûéëbñĕĨĒĜĨĐāPCfðKqåþāh:ãMV¹À½¨ ¸ÇÃÊÎÀ µÀÉËÀÌÀÇͼÍÃÈÇ ÈÁ ¼Ë½ÈÂп˼ÍÀ ¶ÍËξÍÎËÀÌ ¹¸µ¶¡º§»ñdāååøëØþ¤ GMāíþHúĒĦęĉícïý¢ sxñ|a.¢ Ñ£¢ Ò£ïîñn3"¢ ,¢ âüðÔöèòÓïîñFEâÝðt÷ÙèøpM ñ4ï*yòãؤ GimìòçñVíãëdãëÞ蹸µ¶ñFEāĎĄĤĚăĞģĨñ&N2ājðãë9/㢠ûýNÖïpM ñāhOíãëØþ¤ ñMðAñ°®āÚþ¢ öèAñMðñ°®āÚþûÙïćĢĨòĕĨĒĜĨĐíãëñðĀþIGf ïì×þ¤ Gimìòàñ[ðùWh㢠ĊĢĚñOZāãëpMñ4fïKðêØëùKāïéëØþ¤ References [1] Tiemeyer M et al., Glycobiology, 27, 915-19 (2017) [2] Matsubara M et al., J Chem Inf Model., 57, 632-37 (2017) [3] Essentials of Glycobiology. 2 nd and 3 rd edition. Varki A, Cummings RD, Esko JD, et al., editors. Cold Spring Harbor (NY): Cold Spring Harbor Laboratory Press; 2009, 2015-2017 WURCSĩthe W eb3 u nique r epresentation of c arbohydrate s tructuresĪ íçñ1 NÖïpMñ WURCS ñĘĢćĔą 42ñ8 %> ID Accession Number æħe NÖïĕĨĒĜĨĐ āPCKq MĕĨĒñāêI- +ðÛßþ ¹¸µ¶ñ42ðêØë pMā¯Ë¼É ìãëØþ ¯Ë¼É« [íwñðûþ] pMñ42կ˼ÉÂñ42 MA MB <v3" ĩWUCSñĞĞēĉĪ P-Q-R-S-T-P, P-S, Q-T P-Q-R-S-P, P-T,Q-T,S-T,Q-S ĊĢĚ ĩpMñĞĞēĉĪ P Q R S T P Q R S T äĊĢĚ äpMïñðcïþ MíCâÿAñIDÝ 'åþàíÝ×þ. [3] FEMñĠĕĤíãëñĎĄĤ https://www.ncbi.nlm.nih.gov/glycans/snfg.html Position Group WURCSĩMAP*) R1 R2 R4 R5 R7 R8 R9 OH o o o o o o o OAc *OCC/3=O o o o o NHAc *NCC/3=O o x NHGc *NCCO/3=O o NH2 *N ox x NHAcOAc *NCCOCC/3=O/6=O o NHAcOMe *NCCOC/3=O o lactyl *OCCC/3=O/3O o OMe *OC o OSO3 *OSO/3=O/3=O o o OPO3 *OPO/3O/3=O o H sckelton → m x x: only Legionaminic acid (Leg) *Modification Atom Path Symbol Nomenclature for Glycans (SNFG) Sialic acids and other nonulosonic acids ĎĄĤñ~0ÜüzÚþõÞFEâ ){!ñOR ĩĪ -OH, -NHAc, -NHGc or –NH2 at 5th position à 5*O|*NCC/3=0|*NCCO/3=0|*N JñØ ĩĪ Neuraminic acid / Legionaminic acid à T!áíóí#ýí÷ëOR]āzÚþ [ Residue_A | Residue_B] [Neu|Leg] [|Fuc] G23663LB,G32951BA,G70299BZ WURCS=2.0/5,17,16/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1x_1-5][a2112h-1x_1-5][Aad21122h-2x_2- 6_5*NCCO/3=O][Aad21122h-2x_2-6_5*NCC/3=O]/1-1-2-2-1-3-4-1-3-5-2-1-3-5-1-3-5/a?-b1_b?-c1_c?- d1_c?-k1_d?-e1_d?-h1_e?-f1_f?-g2_h?-i1_i?-j2_k?-l1_k?-o1_l?-m1_m?-n2_o?-p1_p?-q2 G09201HE,G78256EL WURCS=2.0/6,12,11/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1x_1-5][a2112h-1x_1-5][Aad21122h-2x_2- 6_5*NCCO/3=O][Aad21122h-2x_2-6_5*NCC/3=O][a1221m-1x_1-5]/1-1-2-2-1-3-4-2-1-3-5-6/a?-b1_a?- l1_b?-c1_c?-d1_c?-h1_d?-e1_e?-f1_f?-g2_h?-i1_i?-j1_j?-k2 ²Ã¾ÀÇÌÀ¿ ÎÇ¿ÀË ¼ ËÀ¼ÍÃÏÀ ÈÆÆÈÇÌ k ©¤¥ ĢĆđĦĐ  ¾¡§¥¦ª YDĩgVim6Ī NeuAc NeuGc Kdn Neu Leg

WURCS: FE {íåþ p M ñ 4fï ]ñim · NHAc *NCC/3=O o x NHGc *NCCO/3=O o NH2 *N ox x NHAcOAc *NCCOCC/3=O/6=O o NHAcOMe *NCCOC/3=O o lactyl *OCCC/3=O/3O o OMe *OC o OSO3 *OSO/3=O/3=O

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Page 1: WURCS: FE {íåþ p M ñ 4fï ]ñim · NHAc *NCC/3=O o x NHGc *NCCO/3=O o NH2 *N ox x NHAcOAc *NCCOCC/3=O/6=O o NHAcOMe *NCCOC/3=O o lactyl *OCCC/3=O/3O o OMe *OC o OSO3 *OSO/3=O/3=O

WURCS:FE��ā�{íåþp�M�ñ�4fï�]ñim

Acknowledgements, ReferencesGimò¢�l(7�;}QM ±¶·¡�ĘĆĈČĆćĦĐĕĨĒĜĨĐđĦĒĨ ³¬®­¡ĢĆĚČĆćĦĐĕĨĒĜĨĐu�=��Lu��=�ěĥĊĢğp�l(ĝĨĒĤñMoñ@?ðûéë�dâÿëØþ¤

���� ����, ��������, ��������

_�l(imðÛØëĕĨĒĜĨĐñX`ò��Rì×þ¤ ċėğúěĥĔĈĨğimðÛØëò��ïĕĨĒĜĨĐāX`åþ�ìimā��ìÞþ^$ÝBéëØþÝ¢ p�òçñûÙï\Uðïؤ 5ÖñĊĤĨěìò��p�M�ģĝďĖģ Å̄зÈέ¼Çº¦»ā!�íãëp�l(ĝĨĒĤ Å̄ЭÈÌÆÈÌôñ9/ð�ýrĂìØþ¤ ĩģĝďĖģíò¢ ġĨčĨ|�ÝĕĨĒā��ìÞþĎĐĔğì¢ ĒĦęĉ�¨S M�ðÛßþ´ËÈÍÀÃÇ ®¼Í¼ ¬¼ÇÄ ´®¬¡ïîÝ�Øì×þ¤Ī �ëñp�M�ð�4ñ°®ā�Úþ�ĩOZ�Īðûéë��bñĕĨĒĜĨĐāPCfðKqåþ�āh:ãM���V¹À½¨ ¸ÇÃÊÎÀµÀÉËÀÌÀÇͼÍÃÈÇ ÈÁ ­¼Ë½ÈÂп˼ÍÀ ¶ÍËξÍÎËÀÌ  ¹¸µ­¶¡º§»ñ�dāååøëØþ¤�G�M�āíþH�úĒĦęĉ�ícïý¢ s��xñ|a.¢ Ñ£¢ Ò£ïîñn3"¢ �,¢ âüðÔöèòÓïîñFEâÝ��ðt÷�Ùèøp�M�ñ�4ï*yò�ãؤ Gimìòçñ��Víãë�dãëÞ蹸µ­¶ñFE��āĎĄĤ�ĚăĞģĨñ&N2ājðãë9/㢠ûýNÖïp�M�ñ��āhOíãëØþ¤ ��ñM�ð�Añ°®ā�Úþ¢ öè�AñM�ð��ñ°®ā�ÚþûÙïćĢĨòĕĨĒĜĨĐíãëñ��ð�ĀþIGfï��ì×þ¤ Gimìòàñ[ðùWh㢠ĊĢĚñOZ�ā�ãëp�M�ñ�4fïK�ðêØëùK�ā�ïéëØþ¤

References[1] Tiemeyer M et al., Glycobiology, 27, 915-19 (2017)[2] Matsubara M et al., J Chem Inf Model., 57, 632-37 (2017)[3] Essentials of Glycobiology. 2nd and 3rd edition. Varki A, Cummings RD, Esko JD, et al., editors. Cold Spring Harbor (NY): Cold Spring Harbor Laboratory Press; 2009, 2015-2017

WURCSĩthe Web3 unique representation of carbohydrate structuresĪ íçñ1�

NÖïp�M�ñ��

WURCS����ñĘĢćĔą�42ñ8�

%>�4ïID

Accession Number

��æħe�

NÖïĕĨĒĜĨĐāPCKq

M�ĕĨĒñ�ā�êI-

+�ðÛßþ¹¸µ­¶ñ�42ðêØë• p�M�ā¯Ë¼ÉÂì�ãëØþ

¯Ë¼É«�[íwñ��ðûþ�]• p�M�ñ�42կ˼ÉÂñ�42

M���A M���B<v3"ĩWUCSñĞĞēĉĪ

P-Q-R-S-T-P, P-S, Q-T P-Q-R-S-P, P-T,Q-T,S-T,Q-S

ĊĢĚĩp�M�ñĞĞēĉĪ

P

Q

R

S

T

P Q

R

ST�äĊĢĚ

�äp�M�ïñðcïþM�í�Câÿ�AñIDÝ' åþàíÝ×þ.

[3]FEM�ñĠĕĤíãëñĎĄĤ�

https://www.ncbi.nlm.nih.gov/glycans/snfg.html

Position

Group WURCSĩMAP*) R1 R2 R4 R5 R7 R8 R9

OH o o o o o o oOAc *OCC/3=O o o o o

NHAc *NCC/3=O o x

NHGc *NCCO/3=O o

NH2 *N ox x

NHAcOAc *NCCOCC/3=O/6=O o

NHAcOMe *NCCOC/3=O o

lactyl *OCCC/3=O/3O oOMe *OC o

OSO3 *OSO/3=O/3=O o o

OPO3 *OPO/3O/3=O o

H sckelton → m x

x: only Legionaminic acid (Leg)*Modification Atom Path

Symbol Nomenclature for Glycans (SNFG)Sialic acids and other nonulosonic acids

ĎĄĤ�ñ�~0ÜüzÚþõÞFEâ• ){!ñOR ĩĪ -OH, -NHAc, -NHGc or –NH2 at 5th position

à 5*O|*NCC/3=0|*NCCO/3=0|*N• �Jñ�Ø ĩĪNeuraminic acid / Legionaminic acid

àT!áíóí#ýí÷ëOR�]āzÚþ[ Residue_A | Residue_B] [Neu|Leg] [|Fuc]

G23663LB,G32951BA,G70299BZWURCS=2.0/5,17,16/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1x_1-5][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCCO/3=O][Aad21122h-2x_2-6_5*NCC/3=O]/1-1-2-2-1-3-4-1-3-5-2-1-3-5-1-3-5/a?-b1_b?-c1_c?-d1_c?-k1_d?-e1_d?-h1_e?-f1_f?-g2_h?-i1_i?-j2_k?-l1_k?-o1_l?-m1_m?-n2_o?-p1_p?-q2

G09201HE,G78256ELWURCS=2.0/6,12,11/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1x_1-5][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCCO/3=O][Aad21122h-2x_2-6_5*NCC/3=O][a1221m-1x_1-5]/1-1-2-2-1-3-4-2-1-3-5-6/a?-b1_a?-l1_b?-c1_c?-d1_c?-h1_d?-e1_e?-f1_f?-g2_h?-i1_i?-j1_j?-k2

²Ã¾ÀÇÌÀ¿�ÎÇ¿ÀË�¼�­ËÀ¼ÍÃÏÀ�­ÈÆÆÈÇÌ��k ©¤¥���ĢĆđĦĐ  ¾¡§¥¦ª��Y�Dĩ�g��V���im6Ī

NeuAc NeuGc

Kdn

Neu Leg