CHEBI:223532 - BBM-928 A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name BBM-928 A
ChEBI ID CHEBI:223532
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C64H78N14O24
Net Charge 0
Average Mass 1427.402
Monoisotopic Mass 1426.53134
InChI InChI=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
InChIKey QMZVWFQMMLKHLS-LPQVFZKKSA-N
SMILES O=C1OC[C@@H](NC(=O)C2=NC=3C(=CC(OC)=CC3)C=C2O)C(=O)N4N=CC[C@@H]([C@H]4C(=O)NCC(=O)N(CC(=O)N([C@H](C(=O)OC[C@H](C(N5[C@H](C(NCC(N(CC(N([C@H]1C(O)(C)C)C)=O)C)=O)=O)[C@@H](OC(=O)C)CC=N5)=O)NC(=O)C6=NC=7C(=CC(OC)=CC7)C=C6O)C(O)(C)C)C)C)OC(=O)C
Metabolite of Species Details
Actinomadura (NCBI:txid1988) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
17286532 ChemSpider
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