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Pregnan-21-al

Properties

Image

Occurences in reactions

MNX_ID

MNXM2418

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₃₄O

charge

mass

302.26097

reference

InChIKey

UJWPMRYSXHLYMB-GCOKGBOCSA-N

InChI

InChI=1S/C21H34O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h14-19H,3-13H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1

SMILES

C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C00891 keggC:C00891	Pregnan-21-al
seed.compound:cpd00661 seedM:cpd00661	Pregnan-21-al 2-[(10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)]acetaldehyde pregnan-21-al
metacyc.compound:PREGNAN-21-AL metacycM:PREGNAN-21-AL	pregnan-21-al 2-[(10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)]acetaldehyde
lipidmaps:LMST02030162 lipidmapsM:LMST02030162	pregnan-21-al O Pregnan-21-al ST 21:1 pregnan-21-al
CHEBI:17934 chebi:17934	pregnan-21-al Pregnan-21-al
chebi:14879 chebi:26230 chebi:8384 keggC:M_C00891 seedM:M_cpd00661	secondary/obsolete/fantasy identifier