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

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gibberellin A5

MNXM1106121 is deprecated and here replaced by MNXM1364243
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1364243
reference	chebi:29598
formula	C₁₉H₂₂O₅
global charge	0
mol weight	330.38
InChIKey	ZOWHLBOPCIHIHW-KQBHUUJHSA-N
InChI	InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
SMILES	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O

MNX internals

InChI (mnx)	InChI=1/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
SMILES (mnx)	[CH2:1]=[C:10]1[CH2:8][C@:17]23[CH2:9][C@@:18]1([OH:23])[CH2:7][CH2:4][C@H:11]2[C@:19]12[CH2:6][CH:3]=[CH:5][C@:16]([CH3:2])([C@H:13]1[C@@H:12]3[C:14](=[O:20])[OH:21])[C:15](=[O:22])[O:24]2

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29598 chebi:29598 ZOWHLBOPCIHIHW-KQBHUUJHSA-N	gibberellin A5 (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-12-ene-9-carboxylic acid 7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid GA5 Gibberellin A5
hmdb:HMDB0303484 ZOWHLBOPCIHIHW-UHFFFAOYSA-N	Gibberellin A5 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-12-ene-9-carboxylic acid
lipidmaps:LMPR0104170028 lipidmapsM:LMPR0104170028 ZOWHLBOPCIHIHW-KQBHUUJHSA-N	Gibberellin A5 7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid