(Q74411343)

English

4alpha-carboxy-ergosta-7,24(24(1))-dien-3beta-ol

anion

In more languages

Statements

type of chemical entity

0 references

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steroid acid anion

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4alpha-formyl-ergosta-7,24(241)-dien-3beta-ol-methyl oxidase activity

1 reference

http://geneontology.org/external2go/rhea2go

1 February 2021

441.33741887990993 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₅O₃⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=C(CCC(C)C1CCC2C3=CCC4C(C(=O)[O-])C(O)CCC4(C)C3CCC21C)C(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C(=O)[O-])O)C)C

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Identifiers

InChI=1S/C29H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-20-9-10-24-26(27(31)32)25(30)14-16-29(24,6)23(20)13-15-28(21,22)5/h9,17,19,21-26,30H,3,7-8,10-16H2,1-2,4-6H3,(H,31,32)/p-1/t19-,21-,22+,23+,24+,25+,26+,28-,29-/m1/s1

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URESBFJPXATWDO-QFCGGAEGSA-M

2 references

ChEBI release 2019-11-01

ChEBI release 2020-09-01

1 reference

matched by identifier from

URESBFJPXATWDO-QFCGGAEGSA-M

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C29H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-20-9-10-24-26(27(31)32)25(30)14-16-29(24,6)23(20)13-15-28(21,22)5/h9,17,19,21-26,30H,3,7-8,10-16H2,1-2,4-6H3,(H,31,32)/p-1/t19-,21-,22+,23+,24+,25+,26+,28-,29-/m1/s1

UniChem compound ID

1 reference

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