CHEBI:208130 - Boletocrocin E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Boletocrocin E
ChEBI ID CHEBI:208130
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H30N2O8
Net Charge 0
Average Mass 486.521
Monoisotopic Mass 486.20022
InChI InChI=1S/C25H30N2O8/c1-18(2)23(25(34)35)27-21(29)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20(28)26-19(24(32)33)17-22(30)31/h3-16,18-19,23H,17H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H,32,33)(H,34,35)/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13+,16-14+/t19-,23-/m0/s1
InChIKey TWBJULYXAIUUEZ-JPNMULMZSA-N
SMILES O=C(N[C@H](C(=O)O)C(C)C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@H](C(=O)O)CC(=O)O
Metabolite of Species Details
Crocinoboletus laetissimus (NCBI:txid1522523) See: DOI
ChEBI Ontology
Outgoing Boletocrocin E (CHEBI:208130) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name
(2S)-2-[[(2E,4E,6E,8E,10E,12E,14E)-16-[[(1S)-1-carboxy-2-methylpropyl]amino]-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoyl]amino]butanedioic acid
Manual Xref Database
78437354 ChemSpider
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