4alpha-carboxy-stigmasta-7,24(24(1))-dien-3beta-ol(1-) (CHEBI:142919)

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CHEBI:142919 - 4α-carboxy-stigmasta-7,24(24¹)-dien-3β-ol(1−)

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ChEBI ID	CHEBI:142919
ChEBI Name	4α-carboxy-stigmasta-7,24(24¹)-dien-3β-ol(1−)
Stars
ASCII Name	4alpha-carboxy-stigmasta-7,24(24(1))-dien-3beta-ol(1-)
Definition	Major species at pH 7.3.
Last Modified	27 February 2024
Submitter	Anne Morgat
Downloads	Molfile

Formula	C30H47O3
Net Charge	-1
Average Mass	455.703
Monoisotopic Mass	455.35307
SMILES	[H][C@@]12CC[C@]([H])([C@H](C)CC/C(=C/C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C(=O)[O-])[C@@H](O)CC[C@]12C
InChI	InChI=1S/C30H48O3/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(28(32)33)26(31)15-17-30(25,6)24(21)14-16-29(22,23)5/h7,10,18-19,22-27,31H,8-9,11-17H2,1-6H3,(H,32,33)/p-1/b20-7-/t19-,22-,23+,24+,25+,26+,27+,29-,30-/m1/s1
InChIKey	PLFNGFVQAIAQFS-HHZIVNGQSA-M

ChEBI Ontology

Outgoing Relation(s)
	4α-carboxy-stigmasta-7,24(24¹)-dien-3β-ol(1−) (CHEBI:142919) is a steroid acid anion (CHEBI:50160)
	4α-carboxy-stigmasta-7,24(24¹)-dien-3β-ol(1−) (CHEBI:142919) is conjugate base of 4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol (CHEBI:182951)
Incoming Relation(s)
	4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol (CHEBI:182951) is conjugate acid of 4α-carboxy-stigmasta-7,24(24¹)-dien-3β-ol(1−) (CHEBI:142919)

UniProt Name	Source
4α-carboxy-stigmasta-7,24(24¹)-dien-3β-ol	UniProt

Manual Xrefs	Databases
CPD-12914	MetaCyc

Citations