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CHEBI:211876 - Microviridin F

ChEBI IDCHEBI:211876
ChEBI NameMicroviridin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC82H102N14O26
Net Charge0
Average Mass1699.790
Monoisotopic Mass1698.70897
SMILESCOC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)[C@@H](C)O)CCCCNC(=O)C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O
InChIInChI=1S/C82H102N14O26/c1-44(99)69(95-78(116)64(43-98)93-72(110)56(84-45(2)100)35-46-13-6-4-7-14-46)80(118)90-58(37-48-19-25-51(101)26-20-48)74(112)85-54-17-10-11-33-83-66(104)40-59(75(113)92-62(82(120)121)39-50-23-29-53(103)30-24-50)88-71(109)55(31-32-68(107)122-3)86-73(111)57(36-47-15-8-5-9-16-47)87-76(114)60(41-67(105)106)89-77(115)63(42-97)94-79(117)65-18-12-34-96(65)81(119)61(91-70(54)108)38-49-21-27-52(102)28-22-49/h4-9,13-16,19-30,44,54-65,69,97-99,101-103H,10-12,17-18,31-43H2,1-3H3,(H,83,104)(H,84,100)(H,85,112)(H,86,111)(H,87,114)(H,88,109)(H,89,115)(H,90,118)(H,91,108)(H,92,113)(H,93,110)(H,94,117)(H,95,116)(H,105,106)(H,120,121)/t44-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,69+/m1/s1
InChIKeySHWUZQNDUBCUPN-GJAORIDRSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/0040-4020(96)00377-8)
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 F (CHEBI:211876) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(3S,6S,14S,17S,20S,23S,26S,29S)-6-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-20-benzyl-23-(carboxymethyl)-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-17-(3-methoxy-3-oxopropyl)-2,5,12,16,19,22,25,28-octaoxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriacontane-14-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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