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CHEBI:222364 - Deacyl-GP1416

ChEBI IDCHEBI:222364
ChEBI NameDeacyl-GP1416
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC78H80ClN9O32
Net Charge0
Average Mass1690.982
Monoisotopic Mass1689.45979
SMILESCC(=O)N[C@H]1[C@@H](OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O[C@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3N)Oc3ccc(cc3)CC3NC(=O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)C(NC3=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O[C@H]4OC(CO)[C@@H](O)[C@H](O)[C@@H]4O)c2-c2cc3ccc2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C78H80ClN9O32/c1-26(92)82-58-64(101)61(98)49(24-90)117-77(58)119-67-30-6-11-43(39(79)16-30)114-47-19-32-18-46(68(47)120-76-53(81)63(100)60(97)48(23-89)116-76)112-35-7-2-27(3-8-35)12-40-69(104)84-55(31-13-33(93)20-36(14-31)113-44-17-28(4-10-42(44)96)52(80)70(105)83-40)72(107)86-56(32)73(108)85-54-29-5-9-41(95)37(15-29)51-38(57(75(110)111)87-74(109)59(67)88-71(54)106)21-34(94)22-45(51)115-78-66(103)65(102)62(99)50(25-91)118-78/h2-11,13-22,40,48-50,52-67,76-78,89-91,93-103H,12,23-25,80-81H2,1H3,(H,82,92)(H,83,105)(H,84,104)(H,85,108)(H,86,107)(H,87,109)(H,88,106)(H,110,111)/t40?,48-,49+,50?,52?,53-,54?,55?,56?,57?,58+,59?,60-,61+,62+,63+,64+,65-,66-,67?,76+,77+,78-/m0/s1
InChIKeyKXDLTSOCQCAEBS-HIAYOFDASA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (33067466)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Deacyl-GP1416 (CHEBI:222364) is a polypeptide (CHEBI:15841)