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CHEBI:138680 - HP_dp05_0001

ChEBI IDCHEBI:138680
ChEBI NameHP_dp05_0001
Stars
DefinitionA heparin pentasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, L-idopyranuronosyl, 2-acetamido-2-deoxy-6-O-sulfo-D-glucopyranosyl, and β-D-glucopyranuronic acid joined in sequence by α-(1→4) linkages. Sequence: DUA2S-GlcNS6S-IdoA-GlcNAc6S-GlcA.
Last Modified22 January 2018
Submitterricardblum
DownloadsMolfile
FormulaC32H48N2O39S4
Net Charge0
Average Mass1212.979
Monoisotopic Mass1212.07170
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](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]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]2O)[C@@H]1O
InChIInChI=1S/C32H48N2O39S4/c1-5(35)33-10-12(37)19(8(3-62-75(53,54)55)65-29(10)70-21-14(39)16(41)28(49)67-23(21)26(45)46)68-31-17(42)15(40)22(24(72-31)27(47)48)71-30-11(34-74(50,51)52)13(38)20(9(66-30)4-63-76(56,57)58)69-32-18(73-77(59,60)61)6(36)2-7(64-32)25(43)44/h2,6,8-24,28-32,34,36-42,49H,3-4H2,1H3,(H,33,35)(H,43,44)(H,45,46)(H,47,48)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)/t6-,8+,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,28+,29+,30+,31+,32-/m0/s1
InChIKeyQHZIIIFVTMTCRD-FFWVQKMJSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) - PubMed (20729345) Porcine intestinal mucosa heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp05_0001 (CHEBI:138680) is a amino pentasaccharide (CHEBI:59268)
HP_dp05_0001 (CHEBI:138680) is a heparin pentasaccharide (CHEBI:139212)
HP_dp05_0001 (CHEBI:138680) 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)-α-L-idopyranuronosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronic acid
Synonym  Source
alpha-delta4,5-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA-(1-4)-alpha-D-GlcpNAc(6S)-(1-4)-beta-D-GlcpAIUPAC
Manual XrefsDatabases
G90831KAGlyTouCan
Citations