HP_dp08_0010 (CHEBI:138696)

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CHEBI:138696 - HP_dp08_0010

ChEBI ID	CHEBI:138696
ChEBI Name	HP_dp08_0010
Stars
Definition	A heparin octasaccharide 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, α-L-idopyranuronosyl, 2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranosyl, β-D-glucopyranuronosyl, and 2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA-GlcNAc6S-GlcA-GlcNS3S6S.
Last Modified	22 January 2018
Submitter	ricardblum
Downloads	Molfile

Formula	C50H78N4O71S10
Net Charge	0
Average Mass	2191.801
Monoisotopic Mass	2189.98230
SMILES	CC(=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](OS(=O)(=O)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](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]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]1O
InChI	InChI=1S/C50H78N4O71S10/c1-7(55)51-14-18(57)27(10(3-104-129(83,84)85)110-44(14)117-32-22(61)24(63)48(121-36(32)40(67)68)116-30-13(6-107-132(92,93)94)108-43(73)17(54-128(80,81)82)31(30)124-134(98,99)100)113-47-23(62)21(60)33(37(120-47)41(69)70)118-45-15(52-126(74,75)76)20(59)29(12(111-45)5-106-131(89,90)91)115-50-35(125-135(101,102)103)25(64)34(38(122-50)42(71)72)119-46-16(53-127(77,78)79)19(58)28(11(112-46)4-105-130(86,87)88)114-49-26(123-133(95,96)97)8(56)2-9(109-49)39(65)66/h2,8,10-38,43-50,52-54,56-64,73H,3-6H2,1H3,(H,51,55)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)/t8-,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,43-,44+,45+,46+,47+,48+,49-,50+/m0/s1
InChIKey	AMHUOFOJMSZUQN-NKRBUAGASA-N

Species of Metabolite	Component	Source	Comments
Sus scrofa (ncbitaxon:9823)
	-	PubMed (21658003)	Porcine intestinal mucosal heparin
	-	PubMed (20729345)	Porcine intestinal mucosa heparin

ChEBI Ontology

Outgoing Relation(s)
	HP_dp08_0010 (CHEBI:138696) is a amino octasaccharide (CHEBI:71060)
	HP_dp08_0010 (CHEBI:138696) is a heparin octasaccharide (CHEBI:132215)
	HP_dp08_0010 (CHEBI:138696) 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-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranose

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-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranose

Synonym	Source
alpha-delta4,5-HexA(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)-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(3S)(6S)	IUPAC

Manual Xrefs	Databases
G85566ZI	GlyTouCan

Citations