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CHEBI:217648 - Pteratide IV

ChEBI IDCHEBI:217648
ChEBI NamePteratide IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H78N8O10
Net Charge0
Average Mass975.242
Monoisotopic Mass974.58409
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)c1ccccc1
InChIInChI=1S/C52H78N8O10/c1-17-32(8)43(60(16)51(68)42(31(6)7)59(15)48(65)37-26-22-19-23-27-37)46(63)55-41-35(11)70-52(69)40(30(4)5)54-44(61)33(9)56(12)47(64)34(10)57(13)49(66)39(29(2)3)53-45(62)38(58(14)50(41)67)28-36-24-20-18-21-25-36/h18-27,29-35,38-43H,17,28H2,1-16H3,(H,53,62)(H,54,61)(H,55,63)/t32-,33-,34-,35+,38-,39-,40-,41-,42-,43-/m0/s1
InChIKeyOJPMNLJZJIAKSU-FNOQMQAJSA-N
Species of MetaboliteComponentSourceComments
Pterulaspecies (ncbitaxon:2040936) - PubMed (17025281)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pteratide IV (CHEBI:217648) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-1-[[(2S,3S)-1-[[(3S,6S,9S,12S,15S,18S,19R)-15-benzyl-6,7,9,10,16,19-hexamethyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methylbenzamide
Manual XrefsDatabases
10148318ChemSpider