EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138708 - HP_dp06_0003

ChEBI IDCHEBI:138708
ChEBI NameHP_dp06_0003
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, 2-O-sulfo-L-idopyranuronosyl, and 2-deoxy-2-(sulfoamino)-α-D-glucopyranose groups joined in sequence by α-(1→4) linkages. Sequence: DUAp2S(1-4)-a-D-GlcNp2S6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNp2S6S(1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNp2S.
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](OS(=O)(=O)O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]6CO)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/c40-2-7-19(13(42)10(31(53)80-7)37-94(54,55)56)84-35-24(92-100(72,73)74)16(45)22(26(89-35)29(49)50)87-33-12(39-96(60,61)62)15(44)21(9(83-33)4-79-98(66,67)68)86-36-25(93-101(75,76)77)17(46)23(27(90-36)30(51)52)88-32-11(38-95(57,58)59)14(43)20(8(82-32)3-78-97(63,64)65)85-34-18(91-99(69,70)71)5(41)1-6(81-34)28(47)48/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
InChIKeyBRFQFYFUDJRWSE-YKPGFUNCSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) - PubMed (7717977) Porcine heparin
ChEBI Ontology
Outgoing Relation(s)
HP_dp06_0003 (CHEBI:138708) is a amino hexasaccharide (CHEBI:61855)
HP_dp06_0003 (CHEBI:138708) is a heparin hexasaccharide (CHEBI:139348)
HP_dp06_0003 (CHEBI:138708) 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-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)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNSSUBMITTER
Hexa 2 octasulfatedSUBMITTER
Manual XrefsDatabases
G56305UVGlyTouCan
Citations