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CHEBI:201751 - Microviridin I

ChEBI IDCHEBI:201751
ChEBI NameMicroviridin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC86H108N16O25
Net Charge0
Average Mass1765.897
Monoisotopic Mass1764.76715
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)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@@H](C)O
InChIInChI=1S/C86H108N16O25/c1-43(2)34-58-75(113)90-56-14-8-9-31-87-68(108)39-60(77(115)97-64(86(124)125)37-49-21-27-53(107)28-22-49)93-74(112)57-29-30-69(109)126-42-65(98-80(118)66-15-10-32-101(66)85(123)63(96-73(56)111)36-48-19-25-52(106)26-20-48)79(117)94-61(78(116)92-59(76(114)91-57)38-50-41-88-55-13-7-6-12-54(50)55)40-70(110)127-45(4)72(83(121)95-58)100-82(120)71(44(3)103)99-81(119)67-16-11-33-102(67)84(122)62(89-46(5)104)35-47-17-23-51(105)24-18-47/h6-7,12-13,17-28,41,43-45,56-67,71-72,88,103,105-107H,8-11,14-16,29-40,42H2,1-5H3,(H,87,108)(H,89,104)(H,90,113)(H,91,114)(H,92,116)(H,93,112)(H,94,117)(H,95,121)(H,96,111)(H,97,115)(H,98,118)(H,99,119)(H,100,120)(H,124,125)/t44-,45-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67-,71+,72+/m1/s1
InChIKeyQIXNFZOBUNPVTK-GSCVQPRKSA-N
Species of MetaboliteComponentSourceComments
Planktothrix agardhii (ncbitaxon:1160) - DOI (10.1016/s0040-4020(99)01017-0)
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 I (CHEBI:201751) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-2-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,43S)-30-[[(2S,3R)-2-[[(2R)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylpropyl)-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decazatetracyclo[17.16.10.213,25.06,10]heptatetracontane-43-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid