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CHEBI:213825 - Microviridin SD-1652

ChEBI IDCHEBI:213825
ChEBI NameMicroviridin SD-1652
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC75H100N18O25
Net Charge0
Average Mass1653.726
Monoisotopic Mass1652.71070
SMILESCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)[C@@H](O)[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H]2CCC(=O)OC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1cnc3ccccc13)C(=O)N2)[C@@H](C)O)[C@@H](C)O
InChIInChI=1S/C75H100N18O25/c1-35(81-69(111)57(36(2)94)82-38(4)96)61(103)91-58(37(3)95)70(112)85-47(14-9-27-79-75(76)77)62(104)83-46-13-7-8-26-78-72(114)60(102)59(71(113)89-52(74(116)117)30-40-18-22-43(98)23-19-40)92-64(106)48-24-25-56(101)118-34-53(90-68(110)54-15-10-28-93(54)73(115)51(88-63(46)105)29-39-16-20-42(97)21-17-39)67(109)87-50(32-55(99)100)66(108)86-49(65(107)84-48)31-41-33-80-45-12-6-5-11-44(41)45/h5-6,11-12,16-23,33,35-37,46-54,57-60,80,94-95,97-98,102H,7-10,13-15,24-32,34H2,1-4H3,(H,78,114)(H,81,111)(H,82,96)(H,83,104)(H,84,107)(H,85,112)(H,86,108)(H,87,109)(H,88,105)(H,89,113)(H,90,110)(H,91,103)(H,92,106)(H,99,100)(H,116,117)(H4,76,77,79)/t35-,36+,37+,46-,47-,48-,49+,50-,51-,52-,53-,54-,57-,58+,59-,60-/m0/s1
InChIKeyXALWEAUOGIUOSS-MWVLJPMCSA-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-1652 (CHEBI:213825) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(1S,4S,10S,13S,20S,21S,24S,27R,30S)-13-[[(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-30-(carboxymethyl)-20-hydroxy-10-[(4-hydroxyphenyl)methyl]-27-(1H-indol-3-ylmethyl)-3,9,12,19,23,26,29,32,35-nonaoxo-34-oxa-2,8,11,18,22,25,28,31-octazatricyclo[22.8.5.04,8]heptatriacontane-21-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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