CHEBI:207896 - Kohamamide A

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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 Kohamamide A
ChEBI ID CHEBI:207896
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H67N5O9
Net Charge 0
Average Mass 774.013
Monoisotopic Mass 773.49388
InChI InChI=1S/C41H67N5O9/c1-14-16-17-20-30-41(11,12)40(53)44-31(24(5)6)36(49)45(13)32(25(7)8)39(52)55-33(26(9)15-2)37(50)46-21-18-19-29(46)35(48)43-28(22-23(3)4)34(47)42-27(10)38(51)54-30/h1,23-33H,15-22H2,2-13H3,(H,42,47)(H,43,48)(H,44,53)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChIKey SYMJQMVNHFFMJD-DKTXOJPGSA-N
SMILES O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N[C@H](C(O[C@H](C1(C)C)CCCC#C)=O)C)=O)CC(C)C)=O)[C@H](CC)C)C(C)C)C)C(C)C
Metabolite of Species Details
Okeania (NCBI:txid1458928) 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 Kohamamide A (CHEBI:207896) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,13S,16S,19S,22S)-3-[(2S)-butan-2-yl]-7,12,12,16-tetramethyl-19-(2-methylpropyl)-13-pent-4-ynyl-6,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Manual Xref Database
61708710 ChemSpider
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