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CHEBI:220438 - Microviridin N4

ChEBI IDCHEBI:220438
ChEBI NameMicroviridin N4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC88H119N19O24
Net Charge0
Average Mass1827.029
Monoisotopic Mass1825.86754
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](N)CCC(=O)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/C88H119N19O24/c1-44(2)36-60-78(119)96-57-30-32-69(112)130-43-65-83(124)101-64(81(122)99-60)41-70(113)131-46(5)72(106-82(123)62(39-49-42-94-55-21-10-9-18-51(49)55)102-84(125)66-24-15-35-107(66)86(127)71(45(3)4)105-75(116)54(89)29-31-68(110)111)85(126)103-61(38-48-25-27-50(108)28-26-48)79(120)95-56(76(117)98-59(37-47-16-7-6-8-17-47)73(114)52-19-13-20-53(52)74(115)104-65)22-11-12-33-92-67(109)40-63(100-77(57)118)80(121)97-58(87(128)129)23-14-34-93-88(90)91/h6-10,16-18,21,25-28,42,44-46,52-54,56-66,71-72,94,108H,11-15,19-20,22-24,29-41,43,89H2,1-5H3,(H,92,109)(H,95,120)(H,96,119)(H,97,121)(H,98,117)(H,99,122)(H,100,118)(H,101,124)(H,102,125)(H,103,126)(H,104,115)(H,105,116)(H,106,123)(H,110,111)(H,128,129)(H4,90,91,93)/t46-,52?,53-,54+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,71+,72+/m1/s1
InChIKeyRJPHPAGAESHTRC-MJNPNBLESA-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 N4 (CHEBI:220438) is a cyclodepsipeptide (CHEBI:35213)