CHEBI:197849 - Kasumigamide

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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 Kasumigamide
ChEBI ID CHEBI:197849
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C40H50N8O9
Net Charge 0
Average Mass 786.887
Monoisotopic Mass 786.37008
InChI InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m1/s1
InChIKey WUXSZVRSSSITPJ-LHXUXNRLSA-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)[C@H](O)C4=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 Kasumigamide (CHEBI:197849) is a peptide (CHEBI:16670)
IUPAC Name
(2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
Manual Xref Database
8756497 ChemSpider
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