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CHEBI:220451 - Microviridin N7

ChEBI IDCHEBI:220451
ChEBI NameMicroviridin N7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC99H136N22O30
Net Charge0
Average Mass2114.301
Monoisotopic Mass2112.97927
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)CNC(=O)[C@@H](N)CCC(=O)O)[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/C99H136N22O30/c1-48(2)39-66-88(138)108-63-32-35-77(130)150-47-71-93(143)114-70(91(141)112-66)44-78(131)151-51(6)81(120-92(142)68(42-54-45-105-60-22-11-10-19-56(54)60)115-94(144)72-25-16-38-121(72)97(147)79(49(3)4)119-87(137)62(31-34-76(128)129)109-95(145)80(50(5)122)118-74(125)46-106-84(134)59(100)30-33-75(126)127)96(146)116-67(41-53-26-28-55(123)29-27-53)89(139)107-61(85(135)111-65(40-52-17-8-7-9-18-52)82(132)57-20-14-21-58(57)83(133)117-71)23-12-13-36-103-73(124)43-69(113-86(63)136)90(140)110-64(98(148)149)24-15-37-104-99(101)102/h7-11,17-19,22,26-29,45,48-51,57-59,61-72,79-81,105,122-123H,12-16,20-21,23-25,30-44,46-47,100H2,1-6H3,(H,103,124)(H,106,134)(H,107,139)(H,108,138)(H,109,145)(H,110,140)(H,111,135)(H,112,141)(H,113,136)(H,114,143)(H,115,144)(H,116,146)(H,117,133)(H,118,125)(H,119,137)(H,120,142)(H,126,127)(H,128,129)(H,148,149)(H4,101,102,104)/t50-,51-,57?,58-,59+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,79+,80+,81+/m1/s1
InChIKeyFUKGOKWLYPYDLI-FSVKZPRASA-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 N7 (CHEBI:220451) is a cyclodepsipeptide (CHEBI:35213)