(Q74411911)

English

1-O-(4-oxoretinoyl)-beta-D-glucuronate

anion

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instance of

type of chemical entity

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subclass of

organic anion

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carbohydrate acid derivative anion

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mass

489.21300621590984 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₆H₃₃O₉⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC(C)=CC(=O)OC1OC(C(=O)[O-])C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)/C)/C

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Identifiers

InChI

InChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/p-1/b8-6+,10-9+,14-7+,15-13+/t20-,21-,22+,23-,25+/m0/s1

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InChIKey

SIKFAVWPHMSCBL-QKLNHPSXSA-M

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stated in

ChEBI release 2019-11-01

stated in

ChEBI release 2020-09-01

PubChem CID

131953099

1 reference

matched by identifier from

InChIKey

SIKFAVWPHMSCBL-QKLNHPSXSA-M

ChEBI ID

139185

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/p-1/b8-6+,10-9+,14-7+,15-13+/t20-,21-,22+,23-,25+/m0/s1

1 reference

(Q74411911)

1-O-(4-oxoretinoyl)-beta-D-glucuronate

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