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CHEBI:214622 - Hoshinoamide B

ChEBI IDCHEBI:214622
ChEBI NameHoshinoamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H99N9O12
Net Charge0
Average Mass1186.547
Monoisotopic Mass1185.74132
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCCCCCCNC(=O)CCCc1ccc(O)cc1)C(=O)N(C)[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C
InChIInChI=1S/C64H99N9O12/c1-11-44(6)56(68-58(78)51(40-42(2)3)69(7)55(77)30-19-14-12-13-15-20-37-66-54(76)29-21-26-45-31-33-47(74)34-32-45)63(83)71(9)57(43(4)5)59(79)67-48(35-36-53(65)75)60(80)72-38-22-27-49(72)61(81)70(8)52(41-46-24-17-16-18-25-46)62(82)73-39-23-28-50(73)64(84)85-10/h16-18,24-25,31-34,42-44,48-52,56-57,74H,11-15,19-23,26-30,35-41H2,1-10H3,(H2,65,75)(H,66,76)(H,67,79)(H,68,78)/t44-,48-,49-,50-,51-,52-,56-,57+/m0/s1
InChIKeyNSVRPKQYFYOKJR-RGEGFSPNSA-N
Species of MetaboliteComponentSourceComments
Caldora penicillata (ncbitaxon:1702241) - PubMed (30387355)
ChEBI Ontology
Outgoing Relation(s)
Hoshinoamide B (CHEBI:214622) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
methyl (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[9-[4-(4-hydroxyphenyl)butanoylamino]nonanoyl-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
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70951816ChemSpider