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CHEBI:138679 - HP_dp06_0005

ChEBI IDCHEBI:138679
ChEBI NameHP_dp06_0005
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-acetamido-2-deoxy-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-GlcNAc-GlcA-GlcNS6S.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC38H59N3O49S6
Net Charge0
Average Mass1534.264
Monoisotopic Mass1533.05414
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](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](CO)[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]4OC(C(=O)O)=C[C@H](O)[C@H]4OS(=O)(=O)O)[C@H](O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1O
InChIInChI=1S/C38H59N3O49S6/c1-6(43)39-13-16(46)22(9(3-42)80-34(13)85-25-18(48)19(49)36(87-28(25)31(53)54)82-23-10(4-76-93(64,65)66)78-33(57)12(15(23)45)40-91(58,59)60)83-38-27(90-96(73,74)75)20(50)26(29(88-38)32(55)56)86-35-14(41-92(61,62)63)17(47)24(11(81-35)5-77-94(67,68)69)84-37-21(89-95(70,71)72)7(44)2-8(79-37)30(51)52/h2,7,9-29,33-38,40-42,44-50,57H,3-5H2,1H3,(H,39,43)(H,51,52)(H,53,54)(H,55,56)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/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
InChIKeyRCTLJCAJMSPXEP-DJRAQRCISA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) - PubMed (20729345) Porcine intestinal mucosa heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp06_0005 (CHEBI:138679) is a amino hexasaccharide (CHEBI:61855)
HP_dp06_0005 (CHEBI:138679) is a heparin hexasaccharide (CHEBI:139348)
HP_dp06_0005 (CHEBI:138679) 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-acetamido-2-deoxy-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-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNAc-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(6S)IUPAC
Manual XrefsDatabases
G40967YYGlyTouCan
Citations