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CHEBI:138720 - HP_dp10_0003

ChEBI IDCHEBI:138720
ChEBI NameHP_dp10_0003
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, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, β-D-glucopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA2S-GlcNS6S-GlcA-GlcNS6S.
Last Modified24 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC60H95N5O92S14
Net Charge0
Average Mass2807.301
Monoisotopic Mass2804.89989
SMILESO=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]8[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@H]%10[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]%10COS(=O)(=O)O)O[C@@H]9C(=O)O)O[C@@H]8COS(=O)(=O)O)O[C@H]7C(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O1
InChIInChI=1S/C60H95N5O92S14/c66-7-1-8(46(77)78)136-57(29(7)154-168(118,119)120)142-31-10(3-131-164(106,107)108)138-53(16(20(31)68)63-160(94,95)96)147-36-26(74)40(156-170(124,125)126)59(152-43(36)48(81)82)144-33-12(5-133-166(112,113)114)140-55(18(22(33)70)65-162(100,101)102)149-38-28(76)41(157-171(127,128)129)60(153-45(38)50(85)86)145-34-13(6-134-167(115,116)117)139-54(17(23(34)71)64-161(97,98)99)148-37-27(75)39(155-169(121,122)123)58(151-44(37)49(83)84)143-32-11(4-132-165(109,110)111)137-52(15(21(32)69)62-159(91,92)93)146-35-24(72)25(73)56(150-42(35)47(79)80)141-30-9(2-130-163(103,104)105)135-51(87)14(19(30)67)61-158(88,89)90/h1,7,9-45,51-76,87H,2-6H2,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,88,89,90)(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)/t7-,9+,10+,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+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60+/m0/s1
InChIKeyUVAZJSYHHVXMED-JVUXXULDSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823)
- PubMed (21658003) Porcine intestinal mucosal heparin
- PubMed (20729345) Porcine intestinal mucosa heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp10_0003 (CHEBI:138720) is a amino decasaccharide (CHEBI:68691)
HP_dp10_0003 (CHEBI:138720) is a heparin decasaccharide (CHEBI:139379)
HP_dp10_0003 (CHEBI:138720) 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)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-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(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(6S)IUPAC
Manual XrefsDatabases
G32123ZHGlyTouCan
Citations