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CHEBI:138707 - HP_dp06_0004

ChEBI IDCHEBI:138707
ChEBI NameHP_dp06_0004
Stars
DefinitionA heparin hexasaccharide 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, β-D-glucopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose connected in sequence by 1→4 linkages. Sequence: DUAp2S(1-4)-a-D-GlcNp2S6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNp2S6S(1-4)-b-D-GlcAp(1-4)-a-D-GlcNp2S6S.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC36H57N3O54S8
Net Charge0
Average Mass1652.355
Monoisotopic Mass1650.95721
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](O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](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/C36H57N3O54S8/c40-5-1-6(28(47)48)82-35(19(5)92-100(72,73)74)86-21-8(3-79-98(66,67)68)84-33(12(14(21)42)39-96(60,61)62)89-24-18(46)25(93-101(75,76)77)36(91-27(24)30(51)52)87-22-9(4-80-99(69,70)71)83-32(11(15(22)43)38-95(57,58)59)88-23-16(44)17(45)34(90-26(23)29(49)50)85-20-7(2-78-97(63,64)65)81-31(53)10(13(20)41)37-94(54,55)56/h1,5,7-27,31-46,53H,2-4H2,(H,47,48)(H,49,50)(H,51,52)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)/t5-,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24-,25+,26-,27+,31-,32+,33+,34+,35-,36+/m0/s1
InChIKeyMUPYKKHZOILGHE-NLFBUPQJSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823)
- PubMed (7717977) Porcine heparin
- PubMed (20729345) Porcine intestinal mucosa heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp06_0004 (CHEBI:138707) is a amino hexasaccharide (CHEBI:61855)
HP_dp06_0004 (CHEBI:138707) is a heparin hexasaccharide (CHEBI:139348)
HP_dp06_0004 (CHEBI:138707) 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)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose
Synonyms  Source
alpha-delta4,5-UA(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)SUBMITTER
Hexa 3 octasulfatedSUBMITTER
Manual XrefsDatabases
G92598CLGlyTouCan
Citations