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CHEBI:225785 - Ikoamide

ChEBI IDCHEBI:225785
ChEBI NameIkoamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H107N9O16
Net Charge0
Average Mass1234.585
Monoisotopic Mass1233.78358
SMILESCCC[C@H](C[C@@H](CC(=O)N(C)[C@@H](C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)OC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)OC)OC
InChIInChI=1S/C62H107N9O16/c1-20-23-43(85-17)33-44(86-18)34-51(75)70(14)53(38(8)21-2)57(78)65-46(35-72)55(76)64-45(30-36(4)5)58(79)68(12)48(31-37(6)7)56(77)66-52(40(10)73)60(81)71(15)54(39(9)22-3)61(82)67(11)47(28-29-50(63)74)59(80)69(13)49(62(83)87-19)32-41-24-26-42(84-16)27-25-41/h24-27,36-40,43-49,52-54,72-73H,20-23,28-35H2,1-19H3,(H2,63,74)(H,64,76)(H,65,78)(H,66,77)/t38-,39-,40+,43+,44-,45+,46+,47-,48-,49-,52-,53+,54-/m0/s1
InChIKeyFCHLMWAXQCNHTK-MXZYASFVSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (32040324)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ikoamide (CHEBI:225785) is a oligopeptide (CHEBI:25676)
IUPAC Name 
methyl (2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(3S,5R)-3,5-dimethoxyoctanoyl]-methylamino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]-methylamino]-3-methylpentanoyl]-methylamino]-5-oxopentanoyl]-methylamino]-3-(4-methoxyphenyl)propanoate
Manual XrefsDatabases
81424461ChemSpider