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CHEBI:220445 - Microviridin N6

ChEBI IDCHEBI:220445
ChEBI NameMicroviridin N6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC94H129N21O27
Net Charge0
Average Mass1985.186
Monoisotopic Mass1983.93668
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]2CC(=O)O[C@H](C)[C@H](NC(=O)[C@H](Cc3cnc4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)OC[C@H](NC(=O)[C@@H]4CCCC4C(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)N2)NC1=O
InChIInChI=1S/C94H129N21O27/c1-46(2)37-63-83(129)102-60-31-33-73(122)141-45-68-88(134)108-67(86(132)106-63)42-74(123)142-49(6)77(114-87(133)65(40-52-44-100-57-22-11-10-19-54(52)57)109-89(135)69-25-16-36-115(69)92(138)75(47(3)4)113-82(128)59(30-32-72(120)121)103-90(136)76(48(5)116)112-71(119)43-95)91(137)110-64(39-51-26-28-53(117)29-27-51)84(130)101-58(80(126)105-62(38-50-17-8-7-9-18-50)78(124)55-20-14-21-56(55)79(125)111-68)23-12-13-34-98-70(118)41-66(107-81(60)127)85(131)104-61(93(139)140)24-15-35-99-94(96)97/h7-11,17-19,22,26-29,44,46-49,55-56,58-69,75-77,100,116-117H,12-16,20-21,23-25,30-43,45,95H2,1-6H3,(H,98,118)(H,101,130)(H,102,129)(H,103,136)(H,104,131)(H,105,126)(H,106,132)(H,107,127)(H,108,134)(H,109,135)(H,110,137)(H,111,125)(H,112,119)(H,113,128)(H,114,133)(H,120,121)(H,139,140)(H4,96,97,99)/t48-,49-,55?,56-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,75+,76+,77+/m1/s1
InChIKeyUQVPOWXIQKOGMQ-ZZKPIPEYSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (31091070)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microviridin N6 (CHEBI:220445) is a cyclodepsipeptide (CHEBI:35213)