CHEBI:205094 - Coibamide 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 Coibamide A
ChEBI ID CHEBI:205094
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C65H110N10O16
Net Charge 0
Average Mass 1287.649
Monoisotopic Mass 1286.81013
InChI InChI=1S/C65H110N10O16/c1-26-40(10)52-56(77)66-41(11)57(78)70(17)47(31-36(2)3)55(76)67-46(33-44-27-29-45(89-25)30-28-44)58(79)69(16)42(12)64(85)90-43(13)53(62(83)72(19)50(35-88-24)61(82)74(52)21)75(22)59(80)48(32-37(4)5)71(18)60(81)49(34-87-23)73(20)63(84)54(39(8)9)91-65(86)51(38(6)7)68(14)15/h27-30,36-43,46-54H,26,31-35H2,1-25H3,(H,66,77)(H,67,76)/t40-,41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
InChIKey LVHKHLZPRPTQJG-BNLDXBMISA-N
SMILES O=C1O[C@@H]([C@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](OC(=O)[C@@H](N(C)C)C(C)C)C(C)C)C)COC)C)CC(C)C)C)C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(N([C@H](C(N[C@H](C(N([C@H]1C)C)=O)CC2=CC=C(OC)C=C2)=O)CC(C)C)C)=O)C)[C@H](CC)C)C)COC)C)C
Metabolite of Species Details
Leptolyngbyaspecies (NCBI:txid47254) 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 Coibamide A (CHEBI:205094) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21S,22R)-15-[(2S)-butan-2-yl]-18-(methoxymethyl)-6-[(4-methoxyphenyl)methyl]-3,4,10,12,16,19,22-heptamethyl-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-methoxy-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl] (2S)-2-(dimethylamino)-3-methylbutanoate
Manual Xref Database
27023755 ChemSpider
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