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gibberellin A53

MNXM734816 is deprecated and replaced by MNXM734814
PropertiesImage
MNX_IDMNXM734814 Image of MNXM734814
referencechebi:143954
formulaC20H26O5
global charge-2
mol weight346.423
InChIKeyCZEMYYICWZPENF-VOLTXKGXSA-L
InChIInChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/p-2/t12-,13+,14-,17-,18+,19-,20-/m0/s1
SMILESC=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1 Image of MNXM734814
SMILES (mnx)[CH2:1]=[C:11]1[CH2:9][C@:19]23[CH2:10][C@@:20]1([OH:25])[CH2:8][CH2:5][C@H:12]2[C@:17]1([CH3:2])[CH2:6][CH2:4][CH2:7][C@@:18]([CH3:3])([C:16](=[O:23])[OH:24])[C@H:14]1[C@@H:13]3[C:15](=[O:21])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143954
chebi:143954
CZEMYYICWZPENF-VOLTXKGXSA-L 		gibberellin A53
gibberellin A53(2-)

sabiork.compound:8391
sabiorkM:8391
kegg.compound:C06094
keggC:C06094
lipidmaps:LMPR0104170007
lipidmapsM:LMPR0104170007
CZEMYYICWZPENF-VOLTXKGXSA-N 		Gibberellin A53
hmdb:HMDB0036895
CZEMYYICWZPENF-VOLTXKGXSA-N 		Gibberellin A53
(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid
(1a,4Aalpha,4bbeta,10b)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylate
(1a,4Aalpha,4bbeta,10b)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid
(1alpha,4Aalpha,4bbeta,10beta)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylate
(1alpha,4Aalpha,4bbeta,10beta)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid
(1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylate
(1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid
13-Hydroxy GA12
13-Hydroxygibberellin A12
GA53
Gibberellin 53
Gibberellin GA53

seed.compound:cpd03634
seedM:cpd03634
CZEMYYICWZPENF-VOLTXKGXSA-L 		Gibberellin A53
GA53
gibberellin A53

CHEBI:27433
chebi:27433
CZEMYYICWZPENF-VOLTXKGXSA-N 		gibberellin A53
(1S,2S,3S,4R,8S,9S,12S)-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid
(1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid
7alpha-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid
GA53
Gibberellin A53
gibberellin 53

metacyc.compound:CPD-695
metacycM:CPD-695
CZEMYYICWZPENF-VOLTXKGXSA-L 		gibberellin A53
GA53

hmdb:HMDB36895
chebi:24247
chebi:5349
keggC:M_C06094
seedM:M_cpd03634 		secondary/obsolete/fantasy identifier