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

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19-hydroxytestosterone

MNXM2767 is deprecated and here replaced by MNXM1104220
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1104220
reference	chebi:798
formula	C₁₉H₂₈O₃
global charge	0
mol weight	304.43
InChIKey	YLTCTXBDDHSLCS-KOUJMVCDSA-N
InChI	InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O

MNX internals

InChI (mnx)	InChI=1/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES (mnx)	[CH3:1][C@:18]12[CH2:8][CH2:7][C@H:16]3[C@@H:14]([CH2:3][CH2:2][C:12]4=[CH:10][C:13](=[O:21])[CH2:6][CH2:9][C@@:19]43[CH2:11][OH:20])[C@@H:15]1[CH2:4][CH2:5][C@@H:17]2[OH:22]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:798 chebi:798 YLTCTXBDDHSLCS-KOUJMVCDSA-N	19-hydroxytestosterone 17beta,19-Dihydroxyandrost-4-en-3-one 17beta,19-dihydroxyandrost-4-en-3-one 19-Hydroxytestosterone
kegg.compound:C05294 keggC:C05294 YLTCTXBDDHSLCS-KOUJMVCDSA-N	19-Hydroxytestosterone 17beta,19-Dihydroxyandrost-4-en-3-one
seed.compound:cpd03140 seedM:cpd03140 YLTCTXBDDHSLCS-KOUJMVCDSA-N	19-Hydroxytestosterone 17beta,19-Dihydroxyandrost-4-en-3-one 19-hydroxytestosterone
lipidmaps:LMST02020070 lipidmapsM:LMST02020070 YLTCTXBDDHSLCS-KOUJMVCDSA-N	19-hydroxy-testosterone 17beta,19-dihydroxyandrost-4-en-3-one O3 ST 19:2
metacyc.compound:19-HYDROXYTESTOSTERONE metacycM:19-HYDROXYTESTOSTERONE YLTCTXBDDHSLCS-KOUJMVCDSA-N	19-hydroxytestosterone
bigg.metabolite:whtststerone biggM:whtststerone YLTCTXBDDHSLCS-KOUJMVCDSA-N	W hydroxy testosterone 19-Hydroxytestosterone
hmdb:HMDB0060089 YLTCTXBDDHSLCS-KOUJMVCDSA-N	w Hydroxy testosterone (1S,2S,10R,11S,14S,15S)-14-hydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one 17 beta,19-Dihydroxyandrost-4-en-3-one 17b,19-Dihydroxyandrost-4-en-3-one 17beta,19-Dihydroxyandrost-4-en-3-one 17beta,19-dihydroxyandrost-4-en-3-one 19-hydroxytestosterone
vmhM:whtststerone vmhmetabolite:whtststerone YLTCTXBDDHSLCS-KOUJMVCDSA-N	w hydroxy testosterone (1S,2S,10R,11S,14S,15S)-14-hydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
hmdb:HMDB60089 biggM:M_whtststerone keggC:M_C05294 seedM:M_cpd03140 vmhM:M_whtststerone	secondary/obsolete/fantasy identifier