CHEBI:220438 - Microviridin N4

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Microviridin N4
ChEBI ID CHEBI:220438
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C88H119N19O24
Net Charge 0
Average Mass 1827.029
Monoisotopic Mass 1825.86754
InChI InChI=1S/C88H119N19O24/c1-44(2)36-60-78(119)96-57-30-32-69(112)130-43-65-83(124)101-64(81(122)99-60)41-70(113)131-46(5)72(106-82(123)62(39-49-42-94-55-21-10-9-18-51(49)55)102-84(125)66-24-15-35-107(66)86(127)71(45(3)4)105-75(116)54(89)29-31-68(110)111)85(126)103-61(38-48-25-27-50(108)28-26-48)79(120)95-56(76(117)98-59(37-47-16-7-6-8-17-47)73(114)52-19-13-20-53(52)74(115)104-65)22-11-12-33-92-67(109)40-63(100-77(57)118)80(121)97-58(87(128)129)23-14-34-93-88(90)91/h6-10,16-18,21,25-28,42,44-46,52-54,56-66,71-72,94,108H,11-15,19-20,22-24,29-41,43,89H2,1-5H3,(H,92,109)(H,95,120)(H,96,119)(H,97,121)(H,98,117)(H,99,122)(H,100,118)(H,101,124)(H,102,125)(H,103,126)(H,104,115)(H,105,116)(H,106,123)(H,110,111)(H,128,129)(H4,90,91,93)/t46-,52?,53-,54+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,71+,72+/m1/s1
InChIKey RJPHPAGAESHTRC-MJNPNBLESA-N
SMILES O=C1N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CC(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC([C@H]([C@H](OC(C[C@H]3C(N[C@H](C(N[C@H]1CCC(=O)OC[C@H](NC(=O)[C@H]4C(C(=O)[C@@H](NC2=O)CC5=CC=CC=C5)CCC4)C(=O)N3)=O)CC(C)C)=O)=O)C)NC(=O)[C@@H](NC(=O)[C@H]6N(C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)CCC6)CC=7C8=C(C=CC=C8)NC7)=O)CC9=CC=C(O)C=C9
Metabolite of Species Details
Nostoc (NCBI:txid1177) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Microviridin N4 (CHEBI:220438) is a cyclodepsipeptide (CHEBI:35213)