EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224011 - Microviridin 1777

ChEBI IDCHEBI:224011
ChEBI NameMicroviridin 1777
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC87H111N17O24
Net Charge0
Average Mass1778.940
Monoisotopic Mass1777.79879
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)O)NC(=O)[C@H]3CCC(=O)OC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccc(O)cc4)NC2=O)C(=O)N[C@@H](CC(=O)O[C@@H]1C)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N3)C(C)C
InChIInChI=1S/C87H111N17O24/c1-44(2)35-59-77(115)92-56-19-12-13-33-89-69(109)31-29-57(76(114)100-65(87(125)126)38-48-15-8-7-9-16-48)93-75(113)58-30-32-70(110)127-43-66(101-83(121)67-20-14-34-104(67)86(124)64(99-74(56)112)37-50-23-27-53(107)28-24-50)82(120)97-63(80(118)95-61(79(117)94-58)39-51-42-90-55-18-11-10-17-54(51)55)41-71(111)128-46(5)73(85(123)98-59)103-84(122)72(45(3)4)102-81(119)62(40-68(88)108)96-78(116)60(91-47(6)105)36-49-21-25-52(106)26-22-49/h7-11,15-18,21-28,42,44-46,56-67,72-73,90,106-107H,12-14,19-20,29-41,43H2,1-6H3,(H2,88,108)(H,89,109)(H,91,105)(H,92,115)(H,93,113)(H,94,117)(H,95,118)(H,96,116)(H,97,120)(H,98,123)(H,99,112)(H,100,114)(H,101,121)(H,102,119)(H,103,122)(H,125,126)/t46-,56+,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,72+,73+/m1/s1
InChIKeyKVBFNKBNLKILGD-OIUGJICQSA-N
Species of MetaboliteComponentSourceComments
Microcystis (ncbitaxon:1125) - PubMed (31989826)
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 1777 (CHEBI:224011) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[[(1S,4S,10S,13S,19R,22S,25S,29R,30S,33S,44S)-30-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylpropyl)-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-phenylpropanoic acid