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CHEBI:210587 - Surugamide F2

ChEBI IDCHEBI:210587
ChEBI NameSurugamide F2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H83N11O12
Net Charge0
Average Mass1042.290
Monoisotopic Mass1041.62227
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C51H83N11O12/c1-23(2)19-36(45(67)60-38(25(5)6)47(69)55-29(12)43(65)58-37(24(3)4)48(70)56-30(13)51(73)74)57-42(64)28(11)21-54-46(68)41(31(14)63)62-50(72)40(27(9)10)61-49(71)39(26(7)8)59-44(66)34(52)20-32-22-53-35-18-16-15-17-33(32)35/h15-18,22-31,34,36-41,53,63H,19-21,52H2,1-14H3,(H,54,68)(H,55,69)(H,56,70)(H,57,64)(H,58,65)(H,59,66)(H,60,67)(H,61,71)(H,62,72)(H,73,74)/t28-,29+,30+,31+,34-,36+,37-,38-,39+,40-,41-/m0/s1
InChIKeyAMSWESMPYWFNGF-GKMJPQRFSA-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 F2 (CHEBI:210587) 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]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
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