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Pregnan-21-al

PropertiesImage
MNX_IDMNXM2418 Image of MNXM2418
referencekeggC:C00891
formulaC21H34O
global charge0
mol weight302.502
InChIKeyUJWPMRYSXHLYMB-GCOKGBOCSA-N
InChIInChI=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
SMILESC[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CC=O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM2418
SMILES (mnx)[CH3:1][C@:20]12[CH2:12][CH2:4][CH2:3][CH2:5][C@H:15]1[CH2:6][CH2:8][C@H:17]1[C@@H:18]3[CH2:9][CH2:7][C@H:16]([CH2:11][CH:14]=[O:22])[C@@:21]3([CH3:2])[CH2:13][CH2:10][C@@H:19]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C00891
keggC:C00891
UJWPMRYSXHLYMB-GCOKGBOCSA-N 		Pregnan-21-al

seed.compound:cpd00661
seedM:cpd00661
UJWPMRYSXHLYMB-XFNFOBRPSA-N 		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
UJWPMRYSXHLYMB-XFNFOBRPSA-N 		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
UJWPMRYSXHLYMB-XFNFOBRPSA-N 		pregnan-21-al
O
Pregnan-21-al
ST 21:1
pregnan-21-al

CHEBI:17934
chebi:17934
UJWPMRYSXHLYMB-XFNFOBRPSA-N 		pregnan-21-al
Pregnan-21-al

chebi:14879
chebi:26230
chebi:8384
keggC:M_C00891
seedM:M_cpd00661 		secondary/obsolete/fantasy identifier