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CHEBI:223532 - BBM-928 A

ChEBI IDCHEBI:223532
ChEBI NameBBM-928 A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H78N14O24
Net Charge0
Average Mass1427.402
Monoisotopic Mass1426.53134
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](OC(C)=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](OC(C)=O)CC=NN4C3=O)c(O)cc2c1
InChIInChI=1S/C64H78N14O24/c1-31(79)101-43-17-19-67-77-51(43)57(89)65-25-45(83)73(7)27-47(85)75(9)54(64(5,6)96)62(94)100-30-40(72-56(88)50-42(82)24-34-22-36(98-12)14-16-38(34)70-50)60(92)78-52(44(18-20-68-78)102-32(2)80)58(90)66-26-46(84)74(8)28-48(86)76(10)53(63(3,4)95)61(93)99-29-39(59(77)91)71-55(87)49-41(81)23-33-21-35(97-11)13-15-37(33)69-49/h13-16,19-24,39-40,43-44,51-54,81-82,95-96H,17-18,25-30H2,1-12H3,(H,65,89)(H,66,90)(H,71,87)(H,72,88)/t39-,40-,43+,44+,51+,52+,53-,54-/m1/s1
InChIKeyQMZVWFQMMLKHLS-LPQVFZKKSA-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 A (CHEBI:223532) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(3R,7S,16S,17S,23R,27S,36S,37S)-37-acetyloxy-3,23-bis[(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-17-yl] acetate
Manual XrefsDatabases
17286532ChemSpider