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CHEBI:219981 - Cycloheptamycin

ChEBI IDCHEBI:219981
ChEBI NameCycloheptamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H68N8O12
Net Charge0
Average Mass949.116
Monoisotopic Mass948.49567
SMILESCCC(C)C1C(=O)NC(C(O)CC)C(=O)N(C)C(Cc2cnc3ccc(OC)cc23)C(=O)OC(C)C(NC(=O)C(NC=O)C(C)C)C(=O)NC(Cc2ccc(OC)cc2)C(=O)NC(C)C(=O)N1C
InChIInChI=1S/C48H68N8O12/c1-12-26(5)41-45(62)54-40(37(58)13-2)47(64)55(8)36(21-30-23-49-34-19-18-32(67-11)22-33(30)34)48(65)68-28(7)39(53-43(60)38(25(3)4)50-24-57)44(61)52-35(20-29-14-16-31(66-10)17-15-29)42(59)51-27(6)46(63)56(41)9/h14-19,22-28,35-41,49,58H,12-13,20-21H2,1-11H3,(H,50,57)(H,51,59)(H,52,61)(H,53,60)(H,54,62)
InChIKeyASSZAURWVSBFSV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (5500058)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cycloheptamycin (CHEBI:219981) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[9-butan-2-yl-6-(1-hydroxypropyl)-3-[(5-methoxy-1H-indol-3-yl)methyl]-15-[(4-methoxyphenyl)methyl]-4,10,12,19-tetramethyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-2-ormamido-3-methylbutanamide