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CHEBI:227848 - Surugamide F

ChEBI IDCHEBI:227848
ChEBI NameSurugamide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H85N11O12
Net Charge0
Average Mass1056.317
Monoisotopic Mass1055.63792
SMILESCC(C)C[C@@H](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(=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/C52H85N11O12/c1-24(2)19-37(46(68)61-40(27(7)8)49(71)56-30(12)44(66)60-39(26(5)6)50(72)57-31(13)52(74)75)58-43(65)29(11)22-55-48(70)42(32(14)64)63-51(73)41(28(9)10)62-47(69)38(20-25(3)4)59-45(67)35(53)21-33-23-54-36-18-16-15-17-34(33)36/h15-18,23-32,35,37-42,54,64H,19-22,53H2,1-14H3,(H,55,70)(H,56,71)(H,57,72)(H,58,65)(H,59,67)(H,60,66)(H,61,68)(H,62,69)(H,63,73)(H,74,75)/t29-,30+,31+,32+,35-,37+,38+,39-,40-,41-,42-/m0/s1
InChIKeyGDDHFKJRLIQMQR-OJFVTMHKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (27443244)
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 F (CHEBI:227848) 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]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
Manual XrefsDatabases
58197217ChemSpider