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alpha-D-GlcpNAc-(1->2)-3,6-diPEA-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp

PropertiesImage
MNX_IDMNXM151983 Image of MNXM151983
referencechebi:77629
formulaC32H61N3O29P2
global charge0
mol weight1013.78
InChIKeyHIGOWTPYUCPRDT-AFZTUJGTSA-N
InChIInChI=1S/C32H61N3O29P2/c1-10(40)35-15-18(44)16(42)12(7-37)56-30(15)62-28-26(64-66(52,53)55-5-3-34)21(47)24(14(9-39)63-65(50,51)54-4-2-33)59-32(28)60-25-22(48)29(49)58-23(11(41)6-36)27(25)61-31-20(46)19(45)17(43)13(8-38)57-31/h11-32,36-39,41-49H,2-9,33-34H2,1H3,(H,35,40)(H,50,51)(H,52,53)/t11-,12+,13+,14-,15+,16+,17+,18+,19-,20+,21+,22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+/m0/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]([C@H](CO)OP(=O)(O)OCCN)[C@@H](O)[C@@H]2OP(=O)(O)OCCN)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C32H61N3O29P2/c1-10(40)35-15-18(44)16(42)12(7-37)56-30(15)62-28-26(64-66(52,53)55-5-3-34)21(47)24(14(9-39)63-65(50,51)54-4-2-33)59-32(28)60-25-22(48)29(49)58-23(11(41)6-36)27(25)61-31-20(46)19(45)17(43)13(8-38)57-31/h11-32,36-39,41-49H,2-9,33-34H2,1H3,(H,35,40)(H,50,51)(H,52,53)/t11-,12+,13+,14-,15+,16+,17+,18+,19-,20+,21+,22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+/m0/s1 Image of MNXM151983
SMILES (mnx)[CH3:1][C:10](=[N:35][C@@H:15]1[C@@H:18]([OH:44])[C@H:16]([OH:42])[C@@H:12]([CH2:7][OH:37])[O:56][C@@H:30]1[O:62][C@H:28]1[C@@H:26]([O:64][P:66]([OH:52])(=[O:53])[O:55][CH2:5][CH2:3][NH2:34])[C@H:21]([OH:47])[C@@H:24]([C@H:14]([CH2:9][OH:39])[O:63][P:65]([OH:50])(=[O:51])[O:54][CH2:4][CH2:2][NH2:33])[O:59][C@@H:32]1[O:60][C@@H:25]1[C@H:22]([OH:48])[C@@H:29]([OH:49])[O:58][C@H:23]([C@H:11]([CH2:6][OH:36])[OH:41])[C@H:27]1[O:61][C@H:31]1[C@H:20]([OH:46])[C@@H:19]([OH:45])[C@H:17]([OH:43])[C@@H:13]([CH2:8][OH:38])[O:57]1)[OH:40]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77629
chebi:77629
HIGOWTPYUCPRDT-AFZTUJGTSA-N 		alpha-D-GlcpNAc-(1->2)-3,6-diPEA-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp
2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-(5S)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-5-[(1S)-1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxyethyl]-alpha-D-lyxopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranose
2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-3,6-di-{O-[(2-aminoethoxy)(hydroxy)phosphoryl]}-L-glycero-alpha-D-manno-heptopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-L-glycero-alpha-D-manno-heptopyranose
N-acetyl-alpha-D-glucosaminyl-(1->2)-3,6-di-{O-[(2-aminoethoxy)(hydroxy)phosphoryl]}-L-glycero-alpha-D-manno-heptosyl-(1->3)-[beta-D-glucosyl-(1->4)]-L-glycero-alpha-D-manno-heptose
alpha-D-GlcNAc-(1->2)-3,6-diPEA-L-alpha-D-Hep-(1->3)-[beta-D-Glc-(1->4)]-L-alpha-D-Hep