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CHEBI:138709 - HP_dp06_0002

Default Structure
ChEBI IDCHEBI:138709
ChEBI NameHP_dp06_0002
Stars
DefinitionA heparin hexasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, α-L-idopyranuronosyl, and 2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranose joined in sequence by α-(1→4) linkages. Sequence: DUAp2S(1-4)-a-D-GlcNpS6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNpS6S(1-4)-a-L-IdoAp(1-4)-a-D-GlcNpAc6S
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC38H59N3O52S7
Net Charge0
Average Mass1614.328
Monoisotopic Mass1613.01096
SMILESCC(=O)N[C@@H]1[C@@H](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]6OC(C(=O)O)=C[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](COS(=O)(=O)O)O[C@@H]1O
InChIInChI=1S/C38H59N3O52S7/c1-6(42)39-12-15(44)22(9(81-33(12)56)3-78-96(63,64)65)85-36-19(48)18(47)25(28(90-36)31(52)53)88-34-13(40-94(57,58)59)17(46)24(11(83-34)5-80-98(69,70)71)87-38-27(93-100(75,76)77)20(49)26(29(91-38)32(54)55)89-35-14(41-95(60,61)62)16(45)23(10(84-35)4-79-97(66,67)68)86-37-21(92-99(72,73)74)7(43)2-8(82-37)30(50)51/h2,7,9-29,33-38,40-41,43-49,56H,3-5H2,1H3,(H,39,42)(H,50,51)(H,52,53)(H,54,55)(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)/t7-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,29+,33-,34+,35+,36+,37-,38+/m0/s1
InChIKeyJWFPABMOLXDVHA-SMUVQOJXSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) - PubMed (7717977) Porcine heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp06_0002 (CHEBI:138709) is a amino hexasaccharide (CHEBI:61855)
HP_dp06_0002 (CHEBI:138709) is a heparin hexasaccharide (CHEBI:139348)
HP_dp06_0002 (CHEBI:138709) 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)-α-L-idopyranuronosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-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)-alpha-L-IdopA-(1-4)-alpha-D-GlcpNAc(6S)SUBMITTER
Hexa 1 heptasulfatedSUBMITTER
Manual XrefsDatabases
G13420YSGlyTouCan
Citations