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CHEBI:207349 - Quinoxapeptin B

ChEBI IDCHEBI:207349
ChEBI NameQuinoxapeptin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H80N16O22
Net Charge0
Average Mass1437.445
Monoisotopic Mass1436.56331
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(=O)[C@@H]5C[C@H]5C)CC=NN4C(=O)[C@H](NC(=O)c4cnc5cc(OC)ccc5n4)COC(=O)[C@H](C(C)(C)O)N(C)C(=O)CN(C)C(=O)CNC(=O)[C@@H]4C(OC(C)=O)CC=NN4C3=O)cnc2c1
InChIInChI=1S/C65H80N16O22/c1-32-21-36(32)61(93)103-46-18-20-71-81-52(46)58(90)69-27-48(84)77(8)29-50(86)79(10)53(64(3,4)96)62(94)100-30-43(74-55(87)41-24-66-39-22-34(98-11)13-15-37(39)72-41)59(91)80-51(45(17-19-70-80)102-33(2)82)57(89)68-26-47(83)76(7)28-49(85)78(9)54(65(5,6)97)63(95)101-31-44(60(81)92)75-56(88)42-25-67-40-23-35(99-12)14-16-38(40)73-42/h13-16,19-20,22-25,32,36,43-46,51-54,96-97H,17-18,21,26-31H2,1-12H3,(H,68,89)(H,69,90)(H,74,87)(H,75,88)/t32-,36-,43-,44-,45?,46+,51+,52+,53-,54-/m1/s1
InChIKeyMQKVZMVMMDIFJL-RUHDUUAPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Quinoxapeptin B (CHEBI:207349) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(3R,7S,16S,17S,23R,27S,36S)-37-acetyloxy-7,27-bis(2-hydroxypropan-2-yl)-3,23-bis[(6-methoxyquinoxaline-2-carbonyl)amino]-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] (1R,2R)-2-methylcyclopropane-1-carboxylate
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