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CHEBI:214901 - Microviridin E

ChEBI IDCHEBI:214901
ChEBI NameMicroviridin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC82H100N14O25
Net Charge0
Average Mass1681.775
Monoisotopic Mass1680.69840
SMILESCOC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(=O)O[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(C)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC(CCCCNC(=O)C[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/C82H100N14O25/c1-44-69(95-78(114)64(43-98)93-72(108)56(84-45(2)99)35-46-13-6-4-7-14-46)80(116)90-58(37-48-19-25-51(100)26-20-48)74(110)85-54-17-10-11-33-83-66(103)40-59(75(111)92-62(82(118)119)39-50-23-29-53(102)30-24-50)88-71(107)55(31-32-67(104)120-3)86-73(109)57(36-47-15-8-5-9-16-47)87-76(112)60(41-68(105)121-44)89-77(113)63(42-97)94-79(115)65-18-12-34-96(65)81(117)61(91-70(54)106)38-49-21-27-52(101)28-22-49/h4-9,13-16,19-30,44,54-65,69,97-98,100-102H,10-12,17-18,31-43H2,1-3H3,(H,83,103)(H,84,99)(H,85,110)(H,86,109)(H,87,112)(H,88,107)(H,89,113)(H,90,116)(H,91,106)(H,92,111)(H,93,108)(H,94,115)(H,95,114)(H,118,119)/t44-,54?,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,69+/m1/s1
InChIKeyQDZJROXCJYRFCT-SXZHVGCCSA-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 E (CHEBI:214901) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(1S,4S,7S,10S,18S,21S,27S,30S,36R,37S,40S)-37-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-benzyl-30-(hydroxymethyl)-21,40-bis[(4-hydroxyphenyl)methyl]-7-(3-methoxy-3-oxopropyl)-36-methyl-2,5,8,12,19,22,28,31,34,38,41-undecaoxo-35-oxa-3,6,9,13,20,23,29,32,39,42-decazatricyclo[16.14.10.023,27]dotetracontane-10-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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