Preferred Name |
vincaleukoblastine |
|
Synonyms |
|
|
ID |
http://purl.obolibrary.org/obo/CHEBI_27375 |
|
charge |
0 |
|
formula |
C46H58N4O9 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 |
|
inchi |
InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 |
|
inchikey |
JXLYSJRDGCGARV-XQKSVPLYSA-N |
|
label |
vincaleukoblastine |
|
mass |
810.97410 |
|
monoisotopicmass |
810.42038 |
|
prefixIRI |
CHEBI:27375 |
|
prefLabel |
vincaleukoblastine |
|
smiles |
[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2CN(CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38482 http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_27288 http://purl.obolibrary.org/obo/CHEBI_26878 http://purl.obolibrary.org/obo/CHEBI_25248 |
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://purl.obolibrary.org/obo/CHEBI_27375 | CHEBI | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_27375 | PDRO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_27375 | FIDEO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_27375 | BERO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_27375 | BIOMODELS | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_27375 | DRON | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_27375 | NIFSTD | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_27375 | CHEBI | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_27375 | FIDEO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_27375 | BERO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_27375 | BIOMODELS | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_27375 | NIFSTD | LOOM |