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CHEBI:222608 - Daspyromycin A

ChEBI IDCHEBI:222608
ChEBI NameDaspyromycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC88H129N25O25S5
Net Charge0
Average Mass2097.485
Monoisotopic Mass2095.81950
SMILESC=C1NC(=O)C(C(C)CC)NC(=O)C(NC(=O)/C(=C/C)NC(=O)C(N)C(C)CC)CSCC(C(=O)NC2C(=O)N3CCCC3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC3CSCC4NC(=O)C(CC(N)=O)NC(=O)C(CSCC5NC(=O)C(Cc6ccccc6)NC(=O)C(CS/C=C\NC5=O)NC4=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC3=O)C(C)O)CSC2C)NC(=O)C(CC(C)C)NC1=O
InChIInChI=1S/C88H129N25O25S5/c1-12-41(6)66(90)85(135)100-48(14-3)73(123)105-57-37-142-38-58(107-74(124)49(25-40(4)5)101-71(121)44(9)97-86(136)67(42(7)13-2)110-81(57)131)82(132)112-69-46(11)143-39-59(99-65(119)31-95-84(134)60-21-18-23-113(60)88(69)138)83(133)111-68(45(10)114)87(137)109-55-35-141-36-56-80(130)108-54-32-139-24-22-91-72(122)52(104-75(125)50(102-79(54)129)26-47-19-16-15-17-20-47)33-140-34-53(78(128)103-51(27-61(89)115)76(126)106-56)98-64(118)30-93-62(116)28-92-63(117)29-94-70(120)43(8)96-77(55)127/h14-17,19-20,22,24,40-43,45-46,49-60,66-69,114H,9,12-13,18,21,23,25-39,90H2,1-8,10-11H3,(H2,89,115)(H,91,122)(H,92,117)(H,93,116)(H,94,120)(H,95,134)(H,96,127)(H,97,136)(H,98,118)(H,99,119)(H,100,135)(H,101,121)(H,102,129)(H,103,128)(H,104,125)(H,105,123)(H,106,126)(H,107,124)(H,108,130)(H,109,137)(H,110,131)(H,111,133)(H,112,132)/b24-22-,48-14-
InChIKeyYHHOQSFWRQSIFN-PMNUMGOYSA-N
Species of MetaboliteComponentSourceComments
Actinokineospora (ncbitaxon:39845) - DOI (10.1016/j.cclet.2021.06.010)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Daspyromycin A (CHEBI:222608) is a polypeptide (CHEBI:15841)