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11-deoxycorticosterone-21-hemisuccinate

Properties

Image

Occurences in reactions

MNX_ID

MNXM33122

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

formula

C₂₅H₃₄O₆

charge

mass

430.23554

reference

chebi:62112

InChIKey

CYWICJWKZPXJSA-PQWRYPMOSA-N

InChI

InChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62112 chebi:62112	11-deoxycorticosterone-21-hemisuccinate 11-Deoxycorticosterone hydrogen succinate 21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione 21-hydroxypregn-4-ene-3,20-dione 21-(hydrogen succinate) 21-hydroxyprogesterone 21-(hydrogen succinate) 21-hydroxyprogesterone 21-hemisuccinate 4-(progesteron-21-yloxy)-4-oxobutanoic acid 4-[(3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acid P4-21-HS deoxycorticosterone-21-hemisuccinate succinic acid mono-(3,20-dioxo-pregn-4-en-21-yl ester)
seed.compound:cpd11116 seedM:cpd11116	11-Deoxycorticosterone hydrogen succinate 21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione 21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate
kegg.compound:C15425 keggC:C15425	21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate 11-Deoxycorticosterone hydrogen succinate 21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione
keggC:M_C15425 seedM:M_cpd11116	secondary/obsolete/fantasy identifier