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CHEBI:207545 - Neoefrapeptin G

ChEBI IDCHEBI:207545
ChEBI NameNeoefrapeptin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H95N13O15
Net Charge0
Average Mass1214.474
Monoisotopic Mass1213.70706
SMILESCCC(C)(NC(=O)C1CCCCN1C(=O)C(C)(C)NC(=O)[C@@H]1CCCCN1C(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NCC(=O)NC1(C(=O)NC(C)(C)C(=O)N2CCCC[C@H]2C(=O)NC(C)(C)C(=O)NCC(=O)O)CC1
InChIInChI=1S/C58H95N13O15/c1-14-57(13,66-46(80)39-23-17-20-30-71(39)51(85)55(9,10)65-44(78)37-21-15-18-28-69(37)35(4)72)49(83)67-54(7,8)48(82)62-36(31-34(2)3)43(77)59-27-24-40(73)60-32-41(74)63-58(25-26-58)50(84)68-56(11,12)52(86)70-29-19-16-22-38(70)45(79)64-53(5,6)47(81)61-33-42(75)76/h34,36-39H,14-33H2,1-13H3,(H,59,77)(H,60,73)(H,61,81)(H,62,82)(H,63,74)(H,64,79)(H,65,78)(H,66,80)(H,67,83)(H,68,84)(H,75,76)/t36-,37-,38-,39?,57?/m0/s1
InChIKeyZVNLHTMZVCMKRM-BIZUUBGKSA-N
Species of MetaboliteComponentSourceComments
Geotrichum candidum (ncbitaxon:1173061) - PubMed (16883776)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Neoefrapeptin G (CHEBI:207545) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[(2S)-1-[2-[[1-[[2-[3-[[(2S)-2-[[2-[[2-[[1-[2-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]-2-methylpropanoyl]piperidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]acetyl]amino]cyclopropanecarbonyl]amino]-2-methylpropanoyl]piperidine-2-carbonyl]amino]-2-methylpropanoyl]amino]acetic acid
Manual XrefsDatabases
78438423ChemSpider