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CHEBI:207756 - Microviridin C

ChEBI IDCHEBI:207756
ChEBI NameMicroviridin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC85H110N16O25
Net Charge0
Average Mass1755.902
Monoisotopic Mass1754.78280
SMILESCOC(=O)CC[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3n2)NC(=O)[C@@H]2CC(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N2
InChIInChI=1S/C85H110N16O25/c1-44(2)35-59-77(115)90-56-19-12-13-33-86-67(107)31-29-57(76(114)97-64(85(123)124)38-50-23-27-54(106)28-24-50)91-75(113)58(30-32-69(109)125-6)92-78(116)61(40-52-39-51-17-10-11-18-55(51)89-52)93-79(117)62(94-80(118)65(43-102)98-81(119)66-20-14-34-101(66)84(122)63(96-74(56)112)37-49-21-25-53(105)26-22-49)41-70(110)126-46(4)72(83(121)95-59)100-82(120)71(45(3)103)99-68(108)42-87-73(111)60(88-47(5)104)36-48-15-8-7-9-16-48/h7-11,15-18,21-28,39,44-46,56-66,71-72,89,102-103,105-106H,12-14,19-20,29-38,40-43H2,1-6H3,(H,86,107)(H,87,111)(H,88,104)(H,90,115)(H,91,113)(H,92,116)(H,93,117)(H,94,118)(H,95,121)(H,96,112)(H,97,114)(H,98,119)(H,99,108)(H,100,120)(H,123,124)/t45-,46-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,71+,72+/m1/s1
InChIKeyWMSHUAZOBJFDIH-MJWXGQQYSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1016/0040-4020(95)00645-o)
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 C (CHEBI:207756) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(1S,4S,7S,10S,19S,22S,28S,31S,37R,38S,41S)-38-[[(2S,3R)-2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-31-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-4-(1H-indol-2-ylmethyl)-7-(3-methoxy-3-oxopropyl)-37-methyl-41-(2-methylpropyl)-2,5,8,13,20,23,29,32,35,39,42-undecaoxo-36-oxa-3,6,9,14,21,24,30,33,40,43-decazatricyclo[17.14.10.024,28]tritetracontane-10-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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