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CHEBI:200985 - Lipopeptide NO

ChEBI IDCHEBI:200985
ChEBI NameLipopeptide NO
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H87N7O13
Net Charge0
Average Mass994.282
Monoisotopic Mass993.63619
SMILESCC(C)CCCCCCC1CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1
InChIInChI=1S/C50H87N7O13/c1-27(2)17-15-13-14-16-18-33-25-40(58)51-34(19-20-41(59)60)44(63)52-35(21-28(3)4)45(64)54-37(23-30(7)8)48(67)57-43(32(11)12)49(68)55-38(26-42(61)62)47(66)53-36(22-29(5)6)46(65)56-39(24-31(9)10)50(69)70-33/h27-39,43H,13-26H2,1-12H3,(H,51,58)(H,52,63)(H,53,66)(H,54,64)(H,55,68)(H,56,65)(H,57,67)(H,59,60)(H,61,62)/t33?,34-,35-,36-,37-,38-,39-,43-/m0/s1
InChIKeyCXNKSWQNEYQUGX-JTQBGTEASA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (18265435)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lipopeptide NO (CHEBI:200985) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3S,6S,9S,12S,15S,18S,21S)-9-(carboxymethyl)-25-(7-methyloctyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
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