CHEBI:215815 - Deoxykasumigamide

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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 Deoxykasumigamide
ChEBI ID CHEBI:215815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H50N8O8
Net Charge 0
Average Mass 770.888
Monoisotopic Mass 770.37516
InChI InChI=1S/C40H50N8O8/c41-40(42)44-18-9-16-30(37(53)48-32(39(55)56)20-25-10-3-1-4-11-25)46-36(52)23-33(49)31(22-27-24-45-29-15-8-7-14-28(27)29)47-35(51)17-19-43-38(54)34(50)21-26-12-5-2-6-13-26/h1-8,10-15,24,30-34,45,49-50H,9,16-23H2,(H,43,54)(H,46,52)(H,47,51)(H,48,53)(H,55,56)(H4,41,42,44)/t30-,31-,32-,33-,34-/m1/s1
InChIKey COOJUUSFULEOTE-SLXQPGMDSA-N
SMILES O=C(O)[C@H](NC(=O)[C@H](NC(=O)C[C@@H](O)[C@H](NC(=O)CCNC(=O)[C@H](O)CC1=CC=CC=C1)CC=2C3=C(C=CC=C3)NC2)CCCN=C(N)N)CC4=CC=CC=C4
Metabolite of Species Details
Microcystis aeruginosa NIES-87 (NCBI:txid449440) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Deoxykasumigamide (CHEBI:215815) is a dipeptide (CHEBI:46761)
IUPAC Name
(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3R,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid