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CHEBI:210581 - Surugamide F3

ChEBI IDCHEBI:210581
ChEBI NameSurugamide F3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H87N11O12
Net Charge0
Average Mass1070.344
Monoisotopic Mass1069.65357
SMILESCC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(C)C)[C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)O)C(C)C
InChIInChI=1S/C53H87N11O12/c1-25(2)19-38(47(69)57-31(12)45(67)62-41(28(7)8)51(73)58-32(13)53(75)76)61-48(70)39(20-26(3)4)59-44(66)30(11)23-56-50(72)43(33(14)65)64-52(74)42(29(9)10)63-49(71)40(21-27(5)6)60-46(68)36(54)22-34-24-55-37-18-16-15-17-35(34)37/h15-18,24-33,36,38-43,55,65H,19-23,54H2,1-14H3,(H,56,72)(H,57,69)(H,58,73)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H,63,71)(H,64,74)(H,75,76)/t30-,31+,32+,33+,36-,38-,39+,40+,41-,42-,43-/m0/s1
InChIKeyYAGDDBBKSNUSSG-DXBWZIAGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies JAMM992 (ncbitaxon:2302910) - PubMed (28590725)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Surugamide F3 (CHEBI:210581) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
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