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CHEBI:138693 - HP_dp10_0004

ChEBI IDCHEBI:138693
ChEBI NameHP_dp10_0004
Stars
DefinitionA heparin decasaccharide consisting of 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, α-L-idopyranuronosyl, 2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranosyl, β-D-glucopyranuronosyl, and 2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA-GlcNAc6S-GlcA-GlcNS3S6S.
Last Modified12 February 2018
Submitterricardblum
DownloadsMolfile
FormulaC62H97N5O90S13
Net Charge0
Average Mass2769.274
Monoisotopic Mass2766.95364
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]3COS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]6O[C@@H](C(=O)O)[C@@H](O[C@H]7O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]8OC(C(=O)O)=C[C@H](O)[C@H]8OS(=O)(=O)O)[C@H](O)[C@H]7NS(=O)(=O)O)[C@H](O)[C@H]6OS(=O)(=O)O)[C@H](O)[C@H]5NS(=O)(=O)O)[C@H](O)[C@H]4OS(=O)(=O)O)[C@H](O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C62H97N5O90S13/c1-8(68)63-16-21(70)32(11(3-130-162(103,104)105)137-54(16)146-38-26(75)28(77)59(151-44(38)49(82)83)145-36-15(7-134-166(115,116)117)135-53(90)20(67-161(100,101)102)37(36)155-168(121,122)123)141-58-27(76)25(74)39(45(150-58)50(84)85)147-55-17(64-158(91,92)93)23(72)34(13(138-55)5-132-164(109,110)111)143-61-42(156-169(124,125)126)30(79)41(47(152-61)52(88)89)149-57-19(66-160(97,98)99)24(73)35(14(140-57)6-133-165(112,113)114)144-62-43(157-170(127,128)129)29(78)40(46(153-62)51(86)87)148-56-18(65-159(94,95)96)22(71)33(12(139-56)4-131-163(106,107)108)142-60-31(154-167(118,119)120)9(69)2-10(136-60)48(80)81/h2,9,11-47,53-62,64-67,69-79,90H,3-7H2,1H3,(H,63,68)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)/t9-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44-,45+,46+,47+,53-,54+,55+,56+,57+,58+,59+,60-,61+,62+/m0/s1
InChIKeyCUCLNKPBMRUOPH-FYTSFWFWSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823)
- PubMed (21658003) Porcine intestinal mucosa heparin
- PubMed (20729345) Porcine intestinal mucosa heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp10_0004 (CHEBI:138693) is a amino decasaccharide (CHEBI:68691)
HP_dp10_0004 (CHEBI:138693) is a heparin decasaccharide (CHEBI:139379)
HP_dp10_0004 (CHEBI:138693) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-α-L-idopyranuronosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranose
Synonym  Source
alpha-delta4,5-HexA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA-(1-4)-alpha-D-GlcpNAc(6S)-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(3S)(6S)IUPAC
Manual XrefsDatabases
G27251ICGlyTouCan
Citations