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CHEBI:220665 - Grimoviridin

ChEBI IDCHEBI:220665
ChEBI NameGrimoviridin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H101N19O24
Net Charge0
Average Mass1568.665
Monoisotopic Mass1567.72669
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCCNC(=O)CC[C@@H](C(=O)NCC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CO)C(=O)O)NC(=O)[C@@H]3CC(=O)OC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CC(=O)O[C@@H]1C)C(=O)N[C@@H](CC(=O)O)C(=O)N3
InChIInChI=1S/C68H101N19O24/c1-6-32(2)52(69)64(105)75-33(3)54(95)86-53-35(5)111-51(94)28-43-61(102)81-41(26-49(91)92)59(100)82-42-27-50(93)110-31-45(62(103)83-43)85-63(104)46-19-14-24-87(46)66(107)34(4)76-56(97)37(78-57(98)38(80-65(53)106)18-13-23-73-68(70)71)17-11-8-12-22-72-47(89)21-20-39(79-60(42)101)55(96)74-29-48(90)77-40(25-36-15-9-7-10-16-36)58(99)84-44(30-88)67(108)109/h7,9-10,15-16,32-35,37-46,52-53,88H,6,8,11-14,17-31,69H2,1-5H3,(H,72,89)(H,74,96)(H,75,105)(H,76,97)(H,77,90)(H,78,98)(H,79,101)(H,80,106)(H,81,102)(H,82,100)(H,83,103)(H,84,99)(H,85,104)(H,86,95)(H,91,92)(H,108,109)(H4,70,71,73)/t32-,33-,34-,35+,37-,38-,39-,40+,41-,42-,43-,44+,45-,46-,52-,53-/m0/s1
InChIKeyGCECSRILXYQLFJ-KCHKQGOKSA-N
Species of MetaboliteComponentSourceComments
Grimontia (ncbitaxon:246861) - PubMed (32300852)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Grimoviridin (CHEBI:220665) is a polypeptide (CHEBI:15841)