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CHEBI:204978 - Microviridin SD-1684

ChEBI IDCHEBI:204978
ChEBI NameMicroviridin SD-1684
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC76H104N18O26
Net Charge0
Average Mass1685.768
Monoisotopic Mass1684.73692
SMILESCOC(=O)CC[C@@H]1NC(=O)[C@@H](Cc2cnc3ccccc23)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](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)CCCCNC(=O)[C@@H](O)[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O
InChIInChI=1S/C76H104N18O26/c1-36(82-70(113)58(37(2)96)83-39(4)98)62(105)92-59(38(3)97)71(114)86-48(15-10-28-80-76(77)78)63(106)84-47-14-8-9-27-79-73(116)61(104)60(72(115)90-53(75(118)119)31-41-19-23-44(100)24-20-41)93-65(108)49(25-26-57(103)120-5)85-66(109)50(32-42-34-81-46-13-7-6-12-45(42)46)87-67(110)51(33-56(101)102)88-68(111)54(35-95)91-69(112)55-16-11-29-94(55)74(117)52(89-64(47)107)30-40-17-21-43(99)22-18-40/h6-7,12-13,17-24,34,36-38,47-55,58-61,81,95-97,99-100,104H,8-11,14-16,25-33,35H2,1-5H3,(H,79,116)(H,82,113)(H,83,98)(H,84,106)(H,85,109)(H,86,114)(H,87,110)(H,88,111)(H,89,107)(H,90,115)(H,91,112)(H,92,105)(H,93,108)(H,101,102)(H,118,119)(H4,77,78,80)/t36-,37+,38+,47-,48-,49-,50+,51-,52-,53-,54-,55-,58-,59+,60-,61-/m0/s1
InChIKeyBLPICGNXOFWGDQ-YXGRCGGTSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/j.tet.2006.05.028)
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 SD-1684 (CHEBI:204978) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(3S,6S,13S,14S,17S,20R,23S,26S,29S)-6-[[(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-23-(carboxymethyl)-13-hydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-20-(1H-indol-3-ylmethyl)-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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