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CHEBI:211599 - Microviridin H

ChEBI IDCHEBI:211599
ChEBI NameMicroviridin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC89H115N17O26
Net Charge0
Average Mass1838.992
Monoisotopic Mass1837.81992
SMILESCOC(=O)CC[C@@H]1NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]2CC(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(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/C89H115N17O26/c1-46(2)38-62-80(120)94-58-14-8-9-35-91-72(113)33-30-60(78(118)102-67(89(129)130)41-51-21-27-55(111)28-22-51)95-77(117)61(31-34-73(114)131-5)96-81(121)63(42-52-44-92-57-13-7-6-12-56(52)57)98-82(122)64(99-83(123)68(45-107)103-85(125)70-16-11-37-106(70)88(128)66(101-76(58)116)40-50-19-25-54(110)26-20-50)43-74(115)132-47(3)75(86(126)100-62)104-79(119)59(29-32-71(90)112)97-84(124)69-15-10-36-105(69)87(127)65(93-48(4)108)39-49-17-23-53(109)24-18-49/h6-7,12-13,17-28,44,46-47,58-70,75,92,107,109-111H,8-11,14-16,29-43,45H2,1-5H3,(H2,90,112)(H,91,113)(H,93,108)(H,94,120)(H,95,117)(H,96,121)(H,97,124)(H,98,122)(H,99,123)(H,100,126)(H,101,116)(H,102,118)(H,103,125)(H,104,119)(H,129,130)/t47-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+/m1/s1
InChIKeyUGNBQCBVWHMOCX-PIDJHHABSA-N
Species of MetaboliteComponentSourceComments
Nostoc minutum NIES-26 (ncbitaxon:1844469) - DOI (10.1016/s0031-9422(97)00131-3)
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 H (CHEBI:211599) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(1S,4S,7S,10S,19S,22S,28S,31S,37R,38S,41S)-38-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-31-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-4-(1H-indol-3-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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17295732ChemSpider