(Q74418185)

English

7-oxoglycolithocholate

anion

In more languages

Statements

type of chemical entity

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carboxylate anion

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446.29119695990994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₆H₄₀NO₅⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC(=O)NCC(=O)[O-])C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C

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Identifiers

InChI=1S/C26H41NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-20,24,28H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,24+,25+,26-/m1/s1

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MOZIKWXTNVWDAB-JPNWVCBHSA-M

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ChEBI release 2019-11-01

ChEBI release 2020-09-01

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matched by identifier from

MOZIKWXTNVWDAB-JPNWVCBHSA-M

mapping relation type

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matched by identifier from

International Chemical Identifier

InChI=1S/C26H41NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-20,24,28H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,24+,25+,26-/m1/s1

UniChem compound ID

1 reference

1 reference

matched by identifier from

MOZIKWXTNVWDAB-JPNWVCBHSA-M

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