MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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16alpha-hydroxyprogesterone

MNXM734532 is deprecated and replaced by MNXM734531

	Properties	Image
MNX_ID	MNXM734531
reference	chebi:15826
formula	C₂₁H₃₀O₃
global charge	0
mol weight	330.468
InChIKey	LOVNYFVWYTXDRE-RMWFXKKMSA-N
InChI	InChI=1S/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21+/m1/s1
SMILES	CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

MNX internals

InChI (mnx)	InChI=1/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21+/m1/s1
SMILES (mnx)	[CH3:1][C:12]([C@H:19]1[C@H:18]([OH:24])[CH2:11][C@H:17]2[C@@H:15]3[CH2:5][CH2:4][C:13]4=[CH:10][C:14](=[O:23])[CH2:6][CH2:8][C@:20]4([CH3:2])[C@H:16]3[CH2:7][CH2:9][C@@:21]21[CH3:3])=[O:22]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15826 chebi:15826 LOVNYFVWYTXDRE-RMWFXKKMSA-N	16alpha-hydroxyprogesterone 16-alpha-Hydroxyprogesterone 16alpha-Hydroxyprogesterone 16alpha-hydroxypregn-4-ene-3,20-dione
metacyc.compound:16-ALPHA-HYDROXYPROGESTERONE metacycM:16-ALPHA-HYDROXYPROGESTERONE LOVNYFVWYTXDRE-RMWFXKKMSA-N	16-alpha-hydroxyprogesterone 16-hydroxyprogesterone
sabiork.compound:6831 sabiorkM:6831 kegg.compound:C03748 keggC:C03748 LOVNYFVWYTXDRE-LPCOOGKISA-N LOVNYFVWYTXDRE-RMWFXKKMSA-N	16alpha-Hydroxyprogesterone 16-alpha-Hydroxyprogesterone
seed.compound:cpd02349 seedM:cpd02349 LOVNYFVWYTXDRE-RMWFXKKMSA-N	16alpha-Hydroxyprogesterone 16-alpha-Hydroxyprogesterone 16-alpha-hydroxyprogesterone 16-hydroxyprogesterone
SLM:000501291 slm:000501291 LOVNYFVWYTXDRE-RMWFXKKMSA-N	16alpha-hydroxyprogesterone
lipidmaps:LMST02030182 lipidmapsM:LMST02030182 LOVNYFVWYTXDRE-RMWFXKKMSA-N	16alpha-hydroxyprogesterone 16-alpha-Hydroxyprogesterone 16alpha-Hydroxyprogesterone 16alpha-hydroxypregn-4-ene-3,20-dione 16alpha-hydroxyprogesterone1 O3 ST 21:3
chebi:11332 chebi:19164 chebi:777 keggC:M_C03748 seedM:M_cpd02349	secondary/obsolete/fantasy identifier