CHEBI:221991 - Microviridin M

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 M
ChEBI ID CHEBI:221991
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000085646088
Download Molfile XML SDF
Formula C72H94N14O19
Net Charge 0
Average Mass 1459.623
Monoisotopic Mass 1458.68197
InChI InChI=1S/C72H94N14O19/c1-37(2)30-49-64(94)76-46-18-11-12-28-74-56(88)26-24-47(63(93)83-53(72(102)103)32-40-14-7-6-8-15-40)77-62(92)48-25-27-57(89)104-36-54(84-68(98)55-19-13-29-86(55)71(101)52(82-61(46)91)31-41-20-22-43(87)23-21-41)67(97)80-51(34-58(90)105-39(5)60(70(100)81-49)85-69(99)59(73)38(3)4)66(96)79-50(65(95)78-48)33-42-35-75-45-17-10-9-16-44(42)45/h6-10,14-17,20-23,35,37-39,46-55,59-60,75,87H,11-13,18-19,24-34,36,73H2,1-5H3,(H,74,88)(H,76,94)(H,77,92)(H,78,95)(H,79,96)(H,80,97)(H,81,100)(H,82,91)(H,83,93)(H,84,98)(H,85,99)(H,102,103)/t39-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,59+,60+/m1/s1
InChIKey VORFWDWWIMRFMG-YIXBORKCSA-N
SMILES O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)CCC(=O)NCCCC[C@@H]3NC(=O)[C@H](CC(C)C)NC([C@H]([C@H](OC(C[C@H]4C(N[C@H](C(N[C@H]1CCC(=O)OC[C@H](NC(=O)[C@H]5N(C(=O)[C@H](CC6=CC=C(O)C=C6)NC3=O)CCC5)C(=O)N4)=O)CC=7C8=C(C=CC=C8)NC7)=O)=O)C)NC(=O)[C@@H](N)C(C)C)=O
Metabolite of Species Details
Microcystisspecies (NCBI:txid1127) 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 M (CHEBI:221991) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,44S)-30-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylpropyl)-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-phenylpropanoic acid