alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS(3S,6S)-(1->4)-beta-D-GlcA(2S)-(1->4)-alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA(2S)-(1->4)-alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-O-pNp (CHEBI:132243)

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CHEBI:132243 - α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(3S,6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp

ChEBI ID	CHEBI:132243
ChEBI Name	α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(3S,6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp
Stars
ASCII Name	alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS(3S,6S)-(1->4)-beta-D-GlcA(2S)-(1->4)-alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA(2S)-(1->4)-alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-O-pNp
Definition	An amino octasaccharide comprising three D-GlcNS(6S) residues, one D-GlcNS(6S) residue, two D-GlcA(2S) residues and two D-GlcA residues (with one at the reducing end joined to 4-nitrophenol via a glycosidic linkage).
Last Modified	2 August 2016
Submitter	Margaret Duesbury
Downloads	Molfile

Formula	C54H81N5O76S11
Net Charge	0
Average Mass	2368.938
Monoisotopic Mass	2366.95549
SMILES	O=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](OS(=O)(=O)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(Oc8ccc([N+](=O)[O-])cc8)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)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O
InChI	InChI=1S/C54H81N5O76S11/c60-19-11(5-113-140(92,93)94)118-47(15(20(19)61)55-136(80,81)82)125-34-24(65)26(67)52(130-40(34)44(72)73)124-31-14(8-116-143(101,102)103)121-50(18(58-139(89,90)91)32(31)133-144(104,105)106)128-36-28(69)38(135-146(110,111)112)54(132-42(36)46(76)77)123-30-13(7-115-142(98,99)100)120-49(17(22(30)63)57-138(86,87)88)127-35-27(68)37(134-145(107,108)109)53(131-41(35)45(74)75)122-29-12(6-114-141(95,96)97)119-48(16(21(29)62)56-137(83,84)85)126-33-23(64)25(66)51(129-39(33)43(70)71)117-10-3-1-9(2-4-10)59(78)79/h1-4,11-42,47-58,60-69H,5-8H2,(H,70,71)(H,72,73)(H,74,75)(H,76,77)(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)(H,104,105,106)(H,107,108,109)(H,110,111,112)/t11-,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-,39+,40+,41+,42+,47-,48-,49-,50-,51?,52-,53-,54-/m1/s1
InChIKey	DRNXELHHXZJHPN-OCLAHLCRSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(3S,6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp (CHEBI:132243) is a amino octasaccharide (CHEBI:71060)
	α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(3S,6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp (CHEBI:132243) is a carbohydrate acid derivative (CHEBI:63436)
	α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(3S,6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp (CHEBI:132243) is a oligosaccharide sulfate (CHEBI:37909)

IUPAC Name
4-nitrophenyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-D-glucopyranosiduronic acid

IUPAC Name

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

Synonyms	Source
α-D-GlcpNS(6S)-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNS(3S,6S)-(1→4)-β-D-GlcpA(2S)-(1→4)-α-D-GlcpNS(6S)-(1→4)-β-D-GlcpA(2S)-(1→4)-α-D-GlcpNS(6S)-(1→4)-β-D-GlcpA-O-pNp	ChEBI
HS-15	ChEBI
4-nitrophenyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-D-glucosiduronic acid	ChEBI

Citations