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

Properties

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Occurences in reactions

MNX_ID

MNXM10249

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

formula

C₂₉H₄₅O₃

charge

-1

mass

441.33742

reference

chebi:142850

InChIKey

URESBFJPXATWDO-QFCGGAEGSA-M

InChI

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

SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C(=O)[O-])[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142850 chebi:142850	4alpha-carboxy-ergosta-7,24(24(1))-dien-3beta-ol (3beta,4alpha,5alpha)-3-hydroxyergosta-7,24(28)-diene-4-carboxylate 3beta-hydroxy-5alpha-ergosta-7,24(28)-diene-4alpha-carboxylate 4alpha-carboxylato-ergosta-7,24(24(1))-dien-3beta-ol
kegg.compound:C22119 keggC:C22119	3beta-Hydroxyergosta-7,24(24(1))-dien-4alpha-carboxylate
CHEBI:145340 chebi:145340	3beta-hydroxy-5alpha-ergosta-7,24(28)-diene-4alpha-carboxylic acid (3beta,4alpha,5alpha)-3-hydroxyergosta-7,24(28)-diene-4-carboxylic acid 4alpha-carboxy-ergosta-7,24(24(1))-dien-3beta-ol
metacyc.compound:CPD-12909 metacycM:CPD-12909 seed.compound:cpd23631 seedM:cpd23631	4alpha-carboxy-ergosta-7,24(241)-dien-3beta-ol
keggC:M_C22119 seedM:M_cpd23631	secondary/obsolete/fantasy identifier