HP_dp06_0001 (CHEBI:138710)

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CHEBI:138710 - HP_dp06_0001

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ChEBI ID	CHEBI:138710
ChEBI Name	HP_dp06_0001
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Definition	A 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-6-O-sulfo-2-(sulfoamino)-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-IdoAp2S(1-4)-a-D-GlcNpS6S.
Last Modified	22 January 2018
Submitter	ricardblum
Downloads	Molfile

Formula	C36H57N3O57S9
Net Charge	0
Average Mass	1732.419
Monoisotopic Mass	1730.91402
SMILES	O=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]6COS(=O)(=O)O)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
InChI	InChI=1S/C36H57N3O57S9/c40-5-1-6(28(46)47)84-34(18(5)94-103(71,72)73)87-20-8(3-81-101(65,66)67)85-32(11(14(20)42)38-98(56,57)58)90-23-17(45)25(96-105(77,78)79)36(93-27(23)30(50)51)89-21-9(4-82-102(68,69)70)86-33(12(15(21)43)39-99(59,60)61)91-22-16(44)24(95-104(74,75)76)35(92-26(22)29(48)49)88-19-7(2-80-100(62,63)64)83-31(52)10(13(19)41)37-97(53,54)55/h1,5,7-27,31-45,52H,2-4H2,(H,46,47)(H,48,49)(H,50,51)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)/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
InChIKey	OQPBDGAWBQTHPM-YKPGFUNCSA-N

Species of Metabolite	Component	Source	Comments
Bos taurus (ncbitaxon:9913)
	-	PubMed (12071948)	Bovine lung heparin
	-	PubMed (11560500)	Bovine lung heparin
Sus scrofa (ncbitaxon:9823)
	-	PubMed (7717977)	Porcine heparin
	-	PubMed (14707146)	Porcine mucosal heparin

ChEBI Ontology

Outgoing Relation(s)
	HP_dp06_0001 (CHEBI:138710) is a amino hexasaccharide (CHEBI:61855)
	HP_dp06_0001 (CHEBI:138710) is a heparin hexasaccharide (CHEBI:139348)
	HP_dp06_0001 (CHEBI:138710) 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-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-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)	IUPAC

Manual Xrefs	Databases
G26920WX	GlyTouCan

Registry Numbers	Sources
Reaxys:5376093	Reaxys
Reaxys:121271935	Reaxys
Reaxys:22847160	Reaxys

Citations