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CHEBI:220454 - Microviridin N8

ChEBI IDCHEBI:220454
ChEBI NameMicroviridin N8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC103H143N23O32
Net Charge0
Average Mass2215.406
Monoisotopic Mass2214.02695
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](CCC(=O)O)NC(=O)[C@@H](N)[C@@H](C)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/C103H143N23O32/c1-49(2)40-68-91(144)112-65-33-36-79(136)157-48-73-96(149)119-72(94(147)117-68)45-80(137)158-53(7)84(100(153)121-69(42-55-27-29-57(129)30-28-55)92(145)111-62(88(141)116-67(41-54-18-9-8-10-19-54)85(138)59-21-15-22-60(59)86(139)122-73)24-13-14-37-107-75(130)44-71(118-89(65)142)93(146)115-66(102(155)156)25-16-38-108-103(105)106)125-95(148)70(43-56-46-109-61-23-12-11-20-58(56)61)120-97(150)74-26-17-39-126(74)101(154)82(50(3)4)124-90(143)64(32-35-78(134)135)114-99(152)83(52(6)128)123-76(131)47-110-87(140)63(31-34-77(132)133)113-98(151)81(104)51(5)127/h8-12,18-20,23,27-30,46,49-53,59-60,62-74,81-84,109,127-129H,13-17,21-22,24-26,31-45,47-48,104H2,1-7H3,(H,107,130)(H,110,140)(H,111,145)(H,112,144)(H,113,151)(H,114,152)(H,115,146)(H,116,141)(H,117,147)(H,118,142)(H,119,149)(H,120,150)(H,121,153)(H,122,139)(H,123,131)(H,124,143)(H,125,148)(H,132,133)(H,134,135)(H,155,156)(H4,105,106,108)/t51-,52-,53-,59?,60-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,81+,82+,83+,84+/m1/s1
InChIKeyKALZIAHHFBESNS-MDYWKTFMSA-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 N8 (CHEBI:220454) is a cyclodepsipeptide (CHEBI:35213)