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CHEBI:220433 - Microviridin N3

ChEBI IDCHEBI:220433
ChEBI NameMicroviridin N3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC83H112N18O21
Net Charge0
Average Mass1697.914
Monoisotopic Mass1696.82494
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](N)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/C83H112N18O21/c1-42(2)34-57-73(110)91-54-29-30-65(104)121-41-62-78(115)96-61(76(113)94-57)39-66(105)122-44(5)68(100-77(114)59(37-47-40-89-52-21-10-9-18-49(47)52)97-79(116)63-24-15-33-101(63)81(118)67(84)43(3)4)80(117)98-58(36-46-25-27-48(102)28-26-46)74(111)90-53(71(108)93-56(35-45-16-7-6-8-17-45)69(106)50-19-13-20-51(50)70(107)99-62)22-11-12-31-87-64(103)38-60(95-72(54)109)75(112)92-55(82(119)120)23-14-32-88-83(85)86/h6-10,16-18,21,25-28,40,42-44,50-51,53-63,67-68,89,102H,11-15,19-20,22-24,29-39,41,84H2,1-5H3,(H,87,103)(H,90,111)(H,91,110)(H,92,112)(H,93,108)(H,94,113)(H,95,109)(H,96,115)(H,97,116)(H,98,117)(H,99,107)(H,100,114)(H,119,120)(H4,85,86,88)/t44-,50?,51-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,67+,68+/m1/s1
InChIKeyLCGVYJIPTMONMW-HQMBRXMRSA-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 N3 (CHEBI:220433) is a cyclodepsipeptide (CHEBI:35213)