HP_dp08_0009 (CHEBI:138697)

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CHEBI:138697 - HP_dp08_0009

ChEBI ID	CHEBI:138697
ChEBI Name	HP_dp08_0009
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, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-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-GlcNS6S-IdoA2S-GlcNS6S-GlcA-GlcNS6S.
Last Modified	22 January 2018
Submitter	ricardblum
Downloads	Molfile

Formula	C48H76N4O73S11
Net Charge	0
Average Mass	2229.828
Monoisotopic Mass	2227.92855
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[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]8COS(=O)(=O)O)O[C@@H]7C(=O)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/C48H76N4O73S11/c53-6-1-7(37(62)63)109-46(24(6)123-134(95,96)97)114-26-9(3-105-131(86,87)88)111-43(14(17(26)55)51-128(77,78)79)118-30-22(60)33(125-136(101,102)103)48(122-35(30)39(66)67)116-28-11(5-107-133(92,93)94)112-44(15(19(28)57)52-129(80,81)82)119-31-23(61)32(124-135(98,99)100)47(121-36(31)40(68)69)115-27-10(4-106-132(89,90)91)110-42(13(18(27)56)50-127(74,75)76)117-29-20(58)21(59)45(120-34(29)38(64)65)113-25-8(2-104-130(83,84)85)108-41(70)12(16(25)54)49-126(71,72)73/h1,6,8-36,41-61,70H,2-5H2,(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,71,72,73)(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)/t6-,8+,9+,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+,41-,42+,43+,44+,45+,46-,47+,48+/m0/s1
InChIKey	NOBGWEFRUWQZLC-NWBBMDMJSA-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_0009 (CHEBI:138697) is a amino octasaccharide (CHEBI:71060)
	HP_dp08_0009 (CHEBI:138697) is a heparin octasaccharide (CHEBI:132215)
	HP_dp08_0009 (CHEBI:138697) 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-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-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)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-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-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(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(6S)	IUPAC

Manual Xrefs	Databases
G97015NM	GlyTouCan

Citations