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nLc6Cer

Properties

Image

Occurences in reactions

MNX_ID

MNXM4137

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	1

formula

C₆₀H₁₀₅N₃O₃₃

charge

mass

1395.66303

reference

hmdb:HMDB0062507

InChIKey

VSLUUOTXHBNIGP-XBDPQXKDSA-N

InChI

InChI=1S/C60H105N3O33/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(73)29(61-26(2)70)25-85-57-47(82)45(80)52(36(24-69)91-57)94-60-49(84)54(41(76)33(21-66)88-60)96-56-38(63-28(4)72)43(78)51(35(23-68)90-56)93-59-48(83)53(40(75)32(20-65)87-59)95-55-37(62-27(3)71)42(77)50(34(22-67)89-55)92-58-46(81)44(79)39(74)31(19-64)86-58/h17-18,29-60,64-69,73-84H,5-16,19-25H2,1-4H3,(H,61,70)(H,62,71)(H,63,72)/t29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57+,58-,59-,60-/m0/s1

SMILES

CCCCCCCCCCCCCC=C[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5N=C(C)O)[C@H]4O)[C@H](O)[C@H]3N=C(C)O)[C@H]2O)[C@H](O)[C@H]1O)N=C(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0062507	nLc6Cer Carbohydrate antigen I N-[(2S,3R)-1-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(2S,3R,4R,5S,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]ethanimidic acid
kegg.glycan:G01903 keggG:G01903	nLc6-Cer
seed.compound:cpd21554 seedM:cpd21554 kegg.glycan:G00067 keggG:G00067	nLc6Cer i-antigen
hmdb:HMDB62507 keggG:M_G00067 keggG:M_G01903 seedM:M_cpd21554	secondary/obsolete/fantasy identifier