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testolate

Properties

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Occurences in reactions

MNX_ID

MNXM4840

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

formula

C₁₉H₂₇O₄

charge

-1

mass

319.19148

reference

chebi:58177

InChIKey

KMUJXIPRPXRPTP-DZBHQSCQSA-M

InChI

InChI=1S/C19H28O4/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2,23)16(14)5-6-17(21)22/h11,14-16,23H,3-10H2,1-2H3,(H,21,22)/p-1/t14-,15+,16+,18+,19+/m1/s1

SMILES

C[C@]1(O)CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@@]32C)[C@@H]1CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58177 chebi:58177	testolate 13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oate testolate anion testolate(1-)
kegg.compound:C01618 keggC:C01618	Testolate
seed.compound:cpd01136 seedM:cpd01136	Testolate 13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oate testolate
metacyc.compound:TESTOLATE metacycM:TESTOLATE	testolate 13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oate
lipidmaps:LMST02020081 lipidmapsM:LMST02020081	testolic acid 13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oic acid O4 ST 19:2 Testolate testolic acid
CHEBI:17525 chebi:17525	testolic acid 13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oic acid Testolate
chebi:15212 chebi:26881 chebi:9459 keggC:M_C01618 seedM:M_cpd01136	secondary/obsolete/fantasy identifier