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CHEBI:223522 - BBM-928 C

ChEBI IDCHEBI:223522
ChEBI NameBBM-928 C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H74N14O22
Net Charge0
Average Mass1343.328
Monoisotopic Mass1342.51021
SMILESCOc1ccc2nc(C(=O)N[C@@H]3COC(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)[C@@H]4[C@@H](O)CC=NN4C(=O)[C@H](NC(=O)c4nc5ccc(OC)cc5cc4O)COC(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)[C@@H]4[C@@H](O)CC=NN4C3=O)c(O)cc2c1
InChIInChI=1S/C60H74N14O22/c1-59(2,91)49-57(89)95-27-35(67-51(83)45-39(77)21-29-19-31(93-9)11-13-33(29)65-45)55(87)73-47(37(75)15-17-63-73)53(85)62-24-42(80)70(6)26-44(82)72(8)50(60(3,4)92)58(90)96-28-36(68-52(84)46-40(78)22-30-20-32(94-10)12-14-34(30)66-46)56(88)74-48(38(76)16-18-64-74)54(86)61-23-41(79)69(5)25-43(81)71(49)7/h11-14,17-22,35-38,47-50,75-78,91-92H,15-16,23-28H2,1-10H3,(H,61,86)(H,62,85)(H,67,83)(H,68,84)/t35-,36-,37+,38+,47+,48+,49-,50-/m1/s1
InChIKeyKEKNHSVGJZJNFK-FKRLCPBESA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (7451357)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
BBM-928 C (CHEBI:223522) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,7S,16S,17S,23R,27S,36S,37S)-17,37-dihydroxy-23-[(3-hydroxy-6-methoxyquinoline-2-carbonyl)amino]-7,27-bis(2-hydroxypropan-2-yl)-8,11,28,31-tetramethyl-2,6,9,12,15,22,26,29,32,35-decaoxo-5,25-dioxa-1,8,11,14,20,21,28,31,34,40-decazatricyclo[34.4.0.016,21]tetraconta-19,39-dien-3-yl]-3-hydroxy-6-methoxyquinoline-2-carboxamide
Manual XrefsDatabases
17286966ChemSpider