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CHEBI:209382 - Minnamide A

ChEBI IDCHEBI:209382
ChEBI NameMinnamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H132N10O18
Net Charge0
Average Mass1449.922
Monoisotopic Mass1448.97211
SMILESCCC[C@@H](O)C[C@H](C)C[C@@H](O)C[C@H](C)C[C@@H](O)C[C@H](C)C[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=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](C(=O)N[C@@H](CO)C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](CO)Cc1ccc(OC)cc1)C(C)C)C(C)C)[C@@H](C)CC
InChIInChI=1S/C74H132N10O18/c1-20-22-52(88)31-46(11)32-53(89)33-47(12)34-54(90)35-48(13)36-55(91)38-63(93)77-57(29-42(3)4)71(98)84(18)66(49(14)21-2)70(97)79-59(40-86)67(94)78-58(30-43(5)6)72(99)82(16)64(44(7)8)69(96)80-60(41-87)73(100)83(17)65(45(9)10)74(101)81(15)61(27-28-62(75)92)68(95)76-51(39-85)37-50-23-25-56(102-19)26-24-50/h23-26,42-49,51-55,57-61,64-66,85-91H,20-22,27-41H2,1-19H3,(H2,75,92)(H,76,95)(H,77,93)(H,78,94)(H,79,97)(H,80,96)/t46-,47-,48-,49-,51-,52+,53+,54+,55-,57-,58+,59+,60-,61-,64-,65-,66+/m0/s1
InChIKeyQGFKIJHYWFMMLE-KPZCQLIWSA-N
Species of MetaboliteComponentSourceComments
Okeania hirsuta (ncbitaxon:1458930) - PubMed (30730753)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Minnamide A (CHEBI:209382) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2R)-2-[[(2R)-3-hydroxy-2-[[(2R,3S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-[[(3S,5S,7R,9S,11R,13S,15R)-3,7,11,15-tetrahydroxy-5,9,13-trimethyloctadecanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]propanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-N-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]pentanediamide
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