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CHEBI:197433 - phomoidride A(1−)

ChEBI IDCHEBI:197433
ChEBI Namephomoidride A(1−)
Stars
ASCII Namephomoidride A(1-)
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H37O10
Net Charge-1
Average Mass569.627
Monoisotopic Mass569.23922
SMILES[H][C@@]12C3=C(C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2C[C@H](O)C(=O)CC/C=C/C)C(=O)OC3=O
InChIInChI=1S/C31H38O10/c1-3-5-7-8-9-11-12-18-14-23-30(17-24(34)35)16-20-25(28(37)40-27(20)36)26(31(23,39)41-29(30)38)19(18)15-22(33)21(32)13-10-6-4-2/h3-6,14,18-19,22,26,33,39H,7-13,15-17H2,1-2H3,(H,34,35)/p-1/b5-3+,6-4+/t18-,19+,22-,26+,30-,31?/m0/s1
InChIKeyPXJMQYXPSSIUGS-IXOQEDOXSA-M
ChEBI Ontology
Outgoing Relation(s)
phomoidride A(1−) (CHEBI:197433) is a cyclic dicarboxylic anhydride (CHEBI:36609)
phomoidride A(1−) (CHEBI:197433) is a furans (CHEBI:24129)
phomoidride A(1−) (CHEBI:197433) is a monocarboxylic acid anion (CHEBI:35757)
Synonym  Source
2-[(1R,8S,14R,15R)-11-hydroxy-15-[(2S,6E)-2-hydroxy-3-oxooct-6-en-1-yl]-14-[(6E)-oct-6-en-1-yl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetateSUBMITTER
UniProt Name  Source
phomoidride AUniProt
Citations