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CHEBI:214628 - Hoshinoamide A

ChEBI IDCHEBI:214628
ChEBI NameHoshinoamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H95N9O12
Net Charge0
Average Mass1146.482
Monoisotopic Mass1145.71002
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CCCCCNC(=O)CCCc1ccc(O)cc1)C(=O)N(C)[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)C(C)C
InChIInChI=1S/C61H95N9O12/c1-13-41(8)53(66-56(76)47(36-38(2)3)67(9)51(74)27-18-15-19-34-63-50(73)26-20-24-42-28-30-44(71)31-29-42)60(80)69(11)54(40(6)7)57(77)64-45(32-33-49(62)72)55(75)65-52(39(4)5)59(79)68(10)48(37-43-22-16-14-17-23-43)58(78)70-35-21-25-46(70)61(81)82-12/h14,16-17,22-23,28-31,38-41,45-48,52-54,71H,13,15,18-21,24-27,32-37H2,1-12H3,(H2,62,72)(H,63,73)(H,64,77)(H,65,75)(H,66,76)/t41-,45-,46-,47-,48+,52+,53-,54+/m0/s1
InChIKeyMBRGVPJSDHLXNJ-UMAFDXPGSA-N
Species of MetaboliteComponentSourceComments
Caldora penicillata (ncbitaxon:1702241) - PubMed (30387355)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hoshinoamide A (CHEBI:214628) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-1-[(2R)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[6-[4-(4-hydroxyphenyl)butanoylamino]hexanoyl-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate