CHEBI:223522 - BBM-928 C

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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 C
ChEBI ID CHEBI:223522
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C60H74N14O22
Net Charge 0
Average Mass 1343.328
Monoisotopic Mass 1342.51021
InChI InChI=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
InChIKey KEKNHSVGJZJNFK-FKRLCPBESA-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](O)CC=N5)=O)NC(=O)C6=NC=7C(=CC(OC)=CC7)C=C6O)C(O)(C)C)C)C)O
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 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 Xref Database
17286966 ChemSpider
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