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(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate

PropertiesImage
MNX_IDMNXM1371571 Image of MNXM1371571
referencechebi:63690
formulaC19H23O6
global charge-1
mol weight347.387
InChIKeyHRJXKKSJPNWKCP-UNXDAHLPSA-M
InChIInChI=1S/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)/p-1/b11-3+,16-6-/t12-,13-,19-/m0/s1
SMILESC/C(=C\C=C(/O)C(=O)[O-])C(=O)CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)/b11-3+,16-6-/t12-,13-,19-/m0/s1 Image of MNXM1371571
SMILES (mnx)[CH3:1]/[C:11](=[CH:3]\[CH:6]=[C:16](\[C:18](=[O:24])[OH:25])[OH:22])[C:14]([CH2:7][CH2:4][C@H:12]1[C@@H:13]2[CH2:5][CH2:8][C:17](=[O:23])[C@@:19]2([CH3:2])[CH2:10][CH2:9][C:15]1=[O:21])=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63690
chebi:63690
HRJXKKSJPNWKCP-UNXDAHLPSA-M 		(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
(2Z,4E)-2-hydroxy-5-methyl-8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]-6-oxoocta-2,4-dienoate

metacyc.compound:3-HYDROXY-5917-TRIOXO-45910-DISECOA
metacycM:3-HYDROXY-5917-TRIOXO-45910-DISECOA
HRJXKKSJPNWKCP-UNXDAHLPSA-M 		(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1 (10),2-dien-4-oate
4,5-9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate
4,5-9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oic acid
4,9-DSHA
8-[(3a-methyl-3,6-dioxo-2,3a,4,5,7,7a-hexahydro-1H-inden-7-yl)]- 2-hydroxy-5-methyl-6-oxo-octa-2,4-dienoic acid

SLM:000389891
slm:000389891
HRJXKKSJPNWKCP-UNXDAHLPSA-M 		(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate

CHEBI:63742
chebi:63742
HRJXKKSJPNWKCP-UNXDAHLPSA-N 		(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid
(2Z,4E)-2-hydroxy-5-methyl-8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]-6-oxoocta-2,4-dienoic acid

kegg.compound:C04844
keggC:C04844
HRJXKKSJPNWKCP-UNXDAHLPSA-N 		3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
(1E,2Z)-3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
DSHA

lipidmaps:LMST02020118
lipidmapsM:LMST02020118
HRJXKKSJPNWKCP-UNXDAHLPSA-N 		3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10)E,2Z-dien-4-oic acid
(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid
O6
ST 19:4

keggC:M_C04844 		secondary/obsolete/fantasy identifier